SCHEMBL6984824

SCHEMBL6984824

NC(=O)N1CCN(c2ccccc2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.50
HTR1A P08908 3/20 0.43
DRD4 P21917 2/20 0.43
C1S P09871 1/20 0.42
F2 P00734 3/20 0.41
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
MAPT P10636 2/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
RPLP1 P05386 1/20 0.35
RPLP0 P05388 1/20 0.35
RPS17 P08708 1/20 0.35
RPSA P08865 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
SCHEMBL6979340 0.96 F10 (0.48) F10HTR1ADRD4C1SF2
SCHEMBL6979107 0.96 F10 (0.56) F10HTR1ADRD4C1SF2
SCHEMBL6982988 0.95 F10 (0.47) F10HTR1ADRD4C1SF2
SCHEMBL6969289 0.94 F10 (0.47) F10HTR1ADRD4C1SF2
SCHEMBL6985466 0.94 C1S (0.51) F10HTR1ADRD4C1SF2
SCHEMBL6982312 0.94 F10 (0.47) F10HTR1ADRD4C1SF2
SCHEMBL6983362 0.94 HTR1A (0.48) F10HTR1AC1SF2LMNA
SCHEMBL6980081 0.94 F10 (0.46) F10HTR1ADRD4C1SF2
SCHEMBL6979284 0.93 C1S (0.45) F10HTR1ADRD4C1SF2
SCHEMBL6979831 0.92 F10 (0.44) F10HTR1ADRD4C1SF2

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 1211/4885HTR1A 554/4885DRD4 3049/4885

“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.