SCHEMBL636064

SCHEMBL636064

COc1ccc(CC(N)(Cc2ccc(OC)cc2)C(N)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDO1 P14902 3/20 0.43
AGXT P21549 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CASR P41180 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AOC3 Q16853 1/20 0.41
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3946088 1.00 SLC6A4 (0.53) SLC6A4CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL635989 0.86 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL637388 0.80 SLC6A4 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL6325819 0.76 SLC6A4 (0.54) SLC6A4CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL6327948 0.76 SLC6A4 (0.57) SLC6A4CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL636098 0.74 SLC6A4 (0.51) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL2837925 0.74 SLC6A4 (0.46) SLC6A4CYP1A2CYP2D6CYP2C19MAOA
SCHEMBL636461 0.74 SLC6A4 (0.46) SLC6A4CYP1A2CYP2D6CYP2C19MAOA
SCHEMBL162234 0.74 SLC6A4 (0.46) SLC6A4CYP1A2CYP2D6CYP2C19MAOA
SCHEMBL2362537 0.74 SLC6A4 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP claimed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP claimed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP claimed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US claimed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP claimed
EP-1411045-B1 Process for production of optically active amino alcohols YOKOZAWA TOHRU (JP) 2008-01-16 EP claimed
US-6984738-B2 Process for production of optically active amino alcohols YOKOZAWA TOHRU 2006-01-10 US claimed
EP-4610268-A1 CELL-MEMBRANE-PERMEABLE PEPTIDE FOR CONJUGATION AGC INC. (JP) 2025-09-03 EP disclosed
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
WO-2024090491-A1 CELL-MEMBRANE-PERMEABLE PEPTIDE FOR CONJUGATION AGC株式会社 2024-05-02 WO disclosed
WO-2022149584-A1 PEPTIDE AGC株式会社 2022-07-14 WO disclosed
EP-3995486-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME AGC INC. (JP) 2022-05-11 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
US-20040082794-A1 Process for production of optically active amino alcohols YOKOZAWA TOHRU (JP) 2004-04-29 US disclosed
EP-1411045-A1 Process for production of optically active amino alcohols Yokozawa, Tohru (JP) 2004-04-21 EP disclosed
EP-1299401-B1 CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS CHIROTECH TECHNOLOGY LTD (GB) 2004-03-31 EP disclosed
US-6508753-B2 Hydrogenation catalyst CHIROTECH TECHNOLOGY LIMITED (GB) 2003-01-21 US 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
US-20020035285-A1 Chiral ligands for asymmetric catalysis CHIROTECH TECHNOLOGY LIMITED (GB) 2002-03-21 US 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 (5 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-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 4046/4885CYP1A2 2624/4885CYP2D6 2665/4885
US-20020035285-A1 Chiral ligands for asymmetric catalysis AR, NR5A2, NR5A1 SLC6A4 3517/4885CYP1A2 860/4885CYP2D6 2071/4885
US-20040082794-A1 Process for production of optically active amino alcohols ADH5, ADH1C, ADH1A SLC6A4 1274/4885CYP1A2 93/4885CYP2D6 388/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR SLC6A4 1615/4885CYP1A2 1113/4885CYP2D6 484/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S SLC6A4 3807/4885CYP1A2 45/4885CYP2D6 4/4885

“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.