SCHEMBL6975715

SCHEMBL6975715

Cc1ccccc1N1CCN(C(N)=O)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
F2 P00734 4/20 0.40
C1S P09871 2/20 0.39
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MYC P01106 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD4 P21917 1/20 0.35
AR P10275 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6980046 0.94 CTDSP1 (0.41) F10F2C1SALDH1A1MAPT
SCHEMBL6982494 0.93 C1S (0.41) F10F2C1SALDH1A1MAPT
SCHEMBL6983358 0.93 POLB (0.43) F10F2C1SALDH1A1USP2
SCHEMBL8124012 0.92 F10 (0.42) F10F2C1SHTR1AALDH1A1
SCHEMBL6979702 0.92 F10 (0.42) F10F2C1SHTR1AALDH1A1
SCHEMBL6985250 0.91 F10 (0.42) F10F2C1SHTR1AALDH1A1
SCHEMBL6979694 0.91 F10 (0.42) F10F2C1SHTR1AALDH1A1
SCHEMBL6983152 0.90 F10 (0.43) F10F2ALDH1A1USP2MAPT
SCHEMBL6983673 0.90 HTR1A (0.47) F10F2HTR1AALDH1A1DRD4
SCHEMBL6984824 0.89 F10 (0.50) F10F2C1SHTR1AALDH1A1

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 4 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

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 1211/4885F2 776/4885C1S 115/4885

“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.