SCHEMBL4833897

SCHEMBL4833897

Cc1cc(Nc2cccc(C(=O)NCCN3CCc4cc(C)c(C)cc4C3)c2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
ABCB1 P08183 8/20 0.48
GUSB P08236 1/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.44
ADRA2A P08913 2/20 0.44
DRD2 P14416 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
RAD52 P43351 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
OPRM1 P35372 1/20 0.43

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
SCHEMBL4824881 0.93 NPC1 (0.55) NPC1GUSBMAPTADRA2ADRD2
SCHEMBL4633348 0.92 ABCB1 (0.56) NPC1ABCB1DRD2SIGMAR1
SCHEMBL4829889 0.92 NPC1 (0.52) NPC1ABCB1GUSBMAPTADRA2A
SCHEMBL5147005 0.91 NPC1 (0.49) NPC1ABCB1GUSBMAPTADRA2A
SCHEMBL4832233 0.91 NPC1 (0.50) NPC1ABCB1GUSBMAPTADRA2A
SCHEMBL4828041 0.91 NPC1 (0.50) NPC1ABCB1GUSBMAPTSRC
SCHEMBL4830214 0.91 NPC1 (0.50) NPC1ABCB1GUSBMAPTADRA2A
SCHEMBL4824864 0.91 NPC1 (0.50) NPC1ABCB1GUSBMAPTADRA2A
SCHEMBL4828201 0.91 NPC1 (0.50) NPC1ABCB1GUSBMAPTADRA2A
SCHEMBL4832009 0.90 NPC1 (0.52) NPC1ABCB1GUSBMAPTSRC

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 10 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-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 NPC1 1830/4885ABCB1 812/4885GUSB 2763/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPC1 1830/4885ABCB1 812/4885GUSB 2763/4885

“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.