SCHEMBL6981565

SCHEMBL6981565

NC(=O)N1CCC(C2CCN(C(N)=O)CC2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3cccs3)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.38
MAPK14 Q16539 1/20 0.35
KLKB1 P03952 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
F2 P00734 4/20 0.32
C1S P09871 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
PLAU P00749 1/20 0.31
PRSS1 P07477 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6974985 0.88 F2 (0.41) F10MAPK14F2C1SALDH1A1
SCHEMBL6980804 0.85 KMT2A (0.38) F10MAPK14KLKB1F2ACACB
SCHEMBL6983346 0.84 ALDH1A1 (0.36) F10MAPK14F2KDM4EALDH1A1
SCHEMBL6979249 0.81 F2 (0.41) F10MAPK14OPRM1F2
SCHEMBL6978159 0.80 F10 (0.42) F10MAPK14F2ALDH1A1
SCHEMBL6979913 0.80 F2 (0.39) F10MAPK14F2
SCHEMBL6979762 0.79 F2 (0.41) F10MAPK14F2PRSS1ALDH1A1
SCHEMBL6983681 0.79 F2 (0.42) F10MAPK14F2C1SACACB
SCHEMBL6983741 0.79 F2 (0.38) F10MAPK14F2ACACBACACA
SCHEMBL6982478 0.79 ROCK1 (0.42) F10MAPK14F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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 (1 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL F10 1211/4885MAPK14 4069/4885KLKB1 798/4885

“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.