SCHEMBL6983158

SCHEMBL6983158

CN1CCC(C2CCN(C(N)=O)CC2)CC1.O=C(O)CN(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.47
CHRM3 P20309 13/20 0.47
CHRM5 P08912 10/20 0.47
CHRM2 P08172 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM4 P08173 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL6983268 0.88 GPR119 (0.49) CHRM1CHRM3CHRM5CHRM2SMN1; SMN2
SCHEMBL84134 0.78 ALDH1A1 (0.49) CHRM1CHRM3CHRM5CHRM2SMN1; SMN2
SCHEMBL4840733 0.77 KDM4E (0.46) CHRM1CHRM3CHRM5CHRM2CHRM4
SCHEMBL11790891 0.76 ALDH1A1 (0.48) CHRM1CHRM3CHRM5CHRM2SMN1; SMN2
SCHEMBL5867974 0.74 CHRM4 (0.46) CHRM1CHRM3CHRM5CHRM2CHRM4
SCHEMBL6369665 0.72 ALDH1A1 (0.47) CHRM1CHRM3CHRM5CHRM2SMN1; SMN2
SCHEMBL9095901 0.72 CHRM1 (0.49) CHRM1CHRM3CHRM5CHRM2SMN1; SMN2
SCHEMBL8905179 0.72 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9A
SCHEMBL1270807 0.71 LMNA (0.51) CHRM1CHRM3CHRM5CHRM2CYP2C19
SCHEMBL10915717 0.71 LMNA (0.47) CHRM1CHRM3CHRM5CHRM2

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 CHRM1 2051/4885CHRM3 3552/4885CHRM5 4188/4885

“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.