SCHEMBL6983673

SCHEMBL6983673

COc1ccccc1N1CCN(C(N)=O)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.47
DRD4 P21917 1/20 0.47
ADRA1A P35348 3/20 0.42
F10 P00742 1/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL6975715 0.90 F10 (0.42) HTR1ADRD4F10CYP3A4ALDH1A1
SCHEMBL8124012 0.90 F10 (0.42) HTR1ADRD4F10ALDH1A1F2
SCHEMBL6985250 0.89 F10 (0.42) HTR1ADRD4F10KMT2AALDH1A1
SCHEMBL6979694 0.89 F10 (0.42) HTR1ADRD4F10MEN1KMT2A
SCHEMBL6983152 0.88 F10 (0.43) F10TSHRMEN1KMT2AALDH1A1
SCHEMBL6980328 0.88 F10 (0.45) F10MEN1KMT2AALDH1A1POLB
SCHEMBL6980046 0.88 CTDSP1 (0.41) F10TSHRMEN1KMT2AALDH1A1
SCHEMBL6984824 0.87 F10 (0.50) HTR1ADRD4F10TSHRALDH1A1
SCHEMBL6977029 0.87 F10 (0.43) HTR1ADRD4F10KMT2AALDH1A1
SCHEMBL6979340 0.86 F10 (0.48) HTR1ADRD4F10TSHRALDH1A1

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 554/4885DRD4 3049/4885ADRA1A 898/4885

“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.