SCHEMBL636461

SCHEMBL636461

COc1ccc(C(N)(c2ccc(OC)cc2)[C@@H](N)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KIF11 P52732 6/20 0.39
SLC6A3 Q01959 1/20 0.39
AOC3 Q16853 1/20 0.39
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2837925 1.00 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL162234 1.00 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL30664386 0.98 SLC6A4 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL10038034 0.93 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL16329073 0.93 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL14596128 0.86 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA7
SCHEMBL635988 0.86 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA7
SCHEMBL5124406 0.84 SLC6A4 (0.43) SLC6A4CA12CA1CA2CA7
SCHEMBL1466083 0.82 ALDH1A1 (0.42) SLC6A4ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL8653942 0.82 SLC6A4 (0.46) SLC6A4MAOAMAPK1ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208466-B1 HIGH AFFINITY MACROCYCLIC FKB51-INHIBITORS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2025-06-11 EP disclosed
EP-4509183-A2 CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF BeiGene Switzerland GmbH (CH) 2025-02-19 EP disclosed
EP-4504736-A1 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS Nuvalent, Inc. (US) 2025-02-12 EP disclosed
US-20240409546-A1 CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF BEONE MEDICINES I GMBH (CH) 2024-12-12 US disclosed
US-12145901-B1 Process for preparing tetralin compounds ARCUS BIOSCIENCES, INC. (US) 2024-11-19 US disclosed
US-12103931-B2 Crystalline form of (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof BEIGENE SWITZERLAND GMBH (CH) 2024-10-01 US disclosed
WO-2023196900-A9 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS NUVALENT, INC. (US) 2024-07-04 WO disclosed
US-11999743-B2 Crystalline form of (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof BEIGENE SWITZERLAND GMBH (CH) 2024-06-04 US disclosed
US-11970500-B1 Crystalline form of (s)-7-(1-acryloylpiperidin-4-yl)- 2-(4-phenoxyphenyl)-4,5,6,7-tetra- hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof BEIGENE SWITZERLAND GMBH (CH) 2024-04-30 US disclosed
US-20240116940-A1 CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF BEONE MEDICINES I GMBH (CH) 2024-04-11 US disclosed
WO-2005058325-A1 TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2005-06-30 WO disclosed
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses LIGAND CHEMIE GMBH (DE) 2005-04-21 US disclosed
EP-1516880-A1 Chiral phosphines for use in asymmetric synthesis Bayer Chemicals AG (DE) 2005-03-23 EP disclosed
US-6787676-B2 REACTING A CARBONYL COMPOUND WITH HYDROGEN IN THE PRESENCE OF A CATALYST, A BASE AND OPTIONALLY A DIAMINE, WHERE THE CATALYST IS A SUPPORT-BONDED RUTHENIUM(II) COMPLEX BISPHOSPHINE LIGAND AND A DIAMINE LIGAND STUDIENGESELLSCHAFT KOHLE MBH (DE) 2004-09-07 US disclosed
EP-1409493-A1 METHOD FOR PRODUCING NON-CHIRAL ORGANIC COMPOUNDS CONTAINING OPTICALLY ACTIVE HYDROXY GROUPS Studiengesellschaft Kohle mbH (DE) 2004-04-21 EP disclosed
WO-2002076997-A1 METHOD FOR PRODUCING NON-CHIRAL ORGANIC COMPOUNDS CONTAINING OPTICALLY ACTIVE HYDROXY GROUPS LIGAND CHEMIE GMBH (DE) 2002-10-03 WO disclosed
US-20020111515-A1 Reacting a carbonyl compound with hydrogen in the presence of a catalyst, a base and optionally a diamine, where the catalyst is a support-bonded ruthenium(II) complex bisphosphine ligand and a diamine ligand STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-08-15 US disclosed
EP-0718265-B1 Method for producing an alcohol NIPPON KOKAN KK (JP) 2000-08-23 EP disclosed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US disclosed
EP-0718265-A2 Method for producing an alcohol RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1996-06-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11970500-B1 Crystalline form of (s)-7-(1-acryloylpiperidin-4-yl)- 2-(4-phenoxyphenyl)-4,5,6,7-tetra- hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof BTK, LCK, SYK SLC6A4 3132/4885CA12 4428/4885CA1 3205/4885
US-20240409546-A1 CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF BTK, LCK, SYK SLC6A4 3132/4885CA12 4428/4885CA1 3205/4885
US-12103931-B2 Crystalline form of (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof BTK, LCK, SYK SLC6A4 3132/4885CA12 4428/4885CA1 3205/4885
US-20020111515-A1 Reacting a carbonyl compound with hydrogen in the presence of a catalyst, a base and optionally a diamine, where the catalyst is a support-bonded ruthenium(II) complex bisphosphine ligand and a diamine ligand PDK1, ADH1A, HRH3 SLC6A4 4046/4885CA12 998/4885CA1 1176/4885
US-20240116940-A1 CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF BTK, LCK, SYK SLC6A4 3132/4885CA12 4428/4885CA1 3205/4885
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses PHOSPHO1, AGPS, GGPS1 SLC6A4 2967/4885CA12 1873/4885CA1 1965/4885
US-12145901-B1 Process for preparing tetralin compounds TFPI, TFPI2, F2 SLC6A4 4416/4885CA12 2117/4885CA1 1942/4885
US-11999743-B2 Crystalline form of (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof BTK, SYK, LCK SLC6A4 3717/4885CA12 4332/4885CA1 3751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.