SCHEMBL7122727

SCHEMBL7122727

CC(C)CC1CCCCN1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.59
SLC6A2 P23975 3/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A3 Q01959 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
MLNR O43193 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
FYN P06241 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
HTR1A P08908 1/20 0.59
CHRM5 P08912 1/20 0.59
ADRA2A P08913 1/20 0.59

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
SCHEMBL12090068 1.00 CYP2D6 (0.59) CYP2D6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6962061 1.00 CYP2D6 (0.59) CYP2D6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL18648051 0.98 CYP2D6 (0.62) CYP2D6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL25819757 0.98 CYP2D6 (0.62) CYP2D6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL165506 0.93
SCHEMBL6957233 0.93
SCHEMBL12089908 0.93
Hydrochloric Acid SCHEMBL5248407 0.91 CYP2D6 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL1426081 0.91 CYP2D6 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL19951005 0.89 CYP2D6 (0.47) CYP2D6SLC6A2SLC6A4SLC6A3MEN1

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
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-20230265091-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE LIEBER INSTITUTE, INC. 2023-08-24 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 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 (6 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-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE CYP2D6 4859/4885SLC6A2 3813/4885SLC6A4 3959/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP2D6 4265/4885SLC6A2 4418/4885SLC6A4 4345/4885
US-11780837-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 CYP2D6 3169/4885SLC6A2 2179/4885SLC6A4 2084/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP2D6 512/4885SLC6A2 755/4885SLC6A4 825/4885
US-20230265091-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE POLR2E, POLR2H, POLRMT CYP2D6 2249/4885SLC6A2 1785/4885SLC6A4 1417/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CYP2D6 4265/4885SLC6A2 4418/4885SLC6A4 4345/4885

“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.