SCHEMBL6217804

SCHEMBL6217804

COc1ccc(C2c3cc(C#N)ccc3NC(C(=O)O)C2c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.43
PTPN7 P35236 1/20 0.43
EDNRA P25101 3/20 0.41
EDNRB P24530 2/20 0.41
SNCA P37840 1/20 0.39
KDM1A O60341 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CNR1 P21554 1/20 0.34
CASP1 P29466 1/20 0.34
CNR2 P34972 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
GSK3B P49841 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL6217806 0.85 SNCA (0.37) HSPA1APTPN7EDNRAEDNRBSNCA
SCHEMBL6697316 0.72 HSPA1A (0.47) HSPA1APTPN7EDNRAEDNRBKDM1A
SCHEMBL6216903 0.70 EDNRA (0.47) HSPA1APTPN7EDNRAEDNRBALDH1A1
SCHEMBL6769378 0.70 EDNRA (0.41) HSPA1APTPN7EDNRAEDNRBKDM1A
SCHEMBL27911000 0.66 PTPN7 (0.60) HSPA1APTPN7EDNRAEDNRBALDH1A1
SCHEMBL14489506 0.65 KDM1A (0.43) SNCAKDM1AALDH1A1CASP1SMN1; SMN2
SCHEMBL12686733 0.62 EDNRA (0.62) EDNRAEDNRBALDH1A1MAPTSMN1; SMN2
SCHEMBL12488726 0.62 EDNRA (0.62) EDNRAEDNRBALDH1A1MAPTSMN1; SMN2
SCHEMBL23342993 0.61 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1MAPTSMN1; SMN2
SCHEMBL23297818 0.61 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1MAPTSMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411947-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2004-04-28 EP claimed
JP-2003522758-A 2003-07-29 JP claimed
WO-2003013530-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-02-20 WO claimed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 EP claimed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO claimed
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 EP disclosed
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds GRUENENTHAL GMBH (DE) 2004-11-11 US disclosed
EP-1411947-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2004-04-28 EP disclosed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 US disclosed
WO-2003013530-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-02-20 WO disclosed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 EP disclosed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO 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 (2 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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C HSPA1A 3371/4885PTPN7 3463/4885EDNRA 1506/4885
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds OPRK1, SDHA, GRIN2C HSPA1A 2266/4885PTPN7 4107/4885EDNRA 1417/4885

“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.