SCHEMBL4828097

SCHEMBL4828097

Cc1cc(Nc2cc(C(=O)NCCN3CCc4ccccc4C3)ccc2O)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.59
ABCB1 P08183 4/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
OPRK1 P41145 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 3/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 4/20 0.44
USP2 O75604 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 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
SCHEMBL4830106 0.92 ABCB1 (0.55) OPRM1ABCB1DRD2DRD3OPRK1
SCHEMBL4832749 0.90 ABCB1 (0.54) OPRM1ABCB1DRD2DRD3SIGMAR1
SCHEMBL4824881 0.87 NPC1 (0.55) OPRM1DRD2DRD3OPRK1SIGMAR1
SCHEMBL4632034 0.86 SIGMAR1 (0.49) OPRM1DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL4832590 0.84 SIGMAR1 (0.47) OPRM1ABCB1DRD2SIGMAR1ALDH1A1
SCHEMBL4831941 0.84 SIGMAR1 (0.51) OPRM1DRD2SIGMAR1ALDH1A1KDM4E
SCHEMBL4667149 0.83 SIGMAR1 (0.50) OPRM1DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL14279426 0.83 KDM4E (0.52) OPRM1ABCB1DRD2DRD3SIGMAR1
SCHEMBL4834439 0.83 NPC1 (0.53) OPRM1DRD2SIGMAR1KDM4EMAPT
SCHEMBL4828185 0.83 SIGMAR1 (0.49) OPRM1DRD2DRD3SIGMAR1ALDH1A1

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 11 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-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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 (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 615/4885ABCB1 812/4885DRD2 1127/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 OPRM1 615/4885ABCB1 812/4885DRD2 1127/4885

“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.