SCHEMBL4832115

SCHEMBL4832115

CCOC(=O)C1(c2ccccc2)CCN(CCOc2cc(Cl)cc(Nc3cc(C)nc4ccccc34)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.49
OPRD1 P41143 7/20 0.49
OPRK1 P41145 5/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KCNA3 P22001 3/20 0.45
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4829906 0.92 UTS2R (0.43) LMNAMAPTSLC6A4
SCHEMBL4832418 0.90 OPRM1 (0.49) OPRM1OPRD1OPRK1LMNAPOLB
SCHEMBL14279614 0.83 UTS2R (0.43) LMNAMAPTSLC6A4
SCHEMBL4824981 0.83 UTS2R (0.43) OPRM1OPRD1OPRK1LMNAMAPT
SCHEMBL4832111 0.83 NPC1 (0.39) LMNAMAPTSLC6A4
SCHEMBL4825855 0.82 UTS2R (0.57) LMNAMAPTSLC6A4
SCHEMBL14279613 0.82 TSHR (0.52) LMNAMAPTSLC6A4
SCHEMBL4828224 0.82 KDR (0.42) OPRM1OPRD1OPRK1LMNAMAPT
SCHEMBL4632717 0.81 TSHR (0.51) LMNAMAPTSLC6A4
SCHEMBL4828129 0.81 DRD2 (0.41) OPRM1OPRD1OPRK1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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 (2 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 OPRM1 615/4885OPRD1 550/4885OPRK1 268/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 OPRM1 615/4885OPRD1 550/4885OPRK1 268/4885

“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.