SCHEMBL6983362

SCHEMBL6983362

NC(=O)N1CCN(c2cccc(Cl)c2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
F10 P00742 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HSD17B10 Q99714 1/20 0.41
C1S P09871 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6984824 0.94 F10 (0.50) HTR1AHTR2AHTR7HTR6F10
SCHEMBL6982312 0.93 F10 (0.47) HTR1AHTR2AHTR7HTR6F10
SCHEMBL6979284 0.91 C1S (0.45) HTR1AHTR2AHTR7HTR6F10
SCHEMBL6977029 0.90 F10 (0.43) HTR1AF10KMT2AC1SALDH1A1
SCHEMBL6979340 0.90 F10 (0.48) HTR1AF10HSD17B10C1SALDH1A1
SCHEMBL6979107 0.90 F10 (0.56) HTR1AF10C1SALDH1A1LMNA
SCHEMBL6980081 0.89 F10 (0.46) HTR1AHTR2AHTR7F10C1S
SCHEMBL6979694 0.89 F10 (0.42) HTR1AF10MEN1KMT2ASMN1; SMN2
SCHEMBL6982988 0.89 F10 (0.47) HTR1AF10HSD17B10C1SALDH1A1
SCHEMBL6969289 0.88 F10 (0.47) HTR1AF10MEN1KMT2ASMN1; 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 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 HTR1A 554/4885HTR2A 1689/4885HTR7 701/4885

“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.