SCHEMBL4832299

SCHEMBL4832299

Cc1cc(Nc2cccc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
UTS2R Q9UKP6 2/20 0.52
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACP1 P24666 1/20 0.47
DRD4 P21917 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NCF1 P14598 1/20 0.47
GUSB P08236 1/20 0.47
MAPT P10636 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47

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
SCHEMBL4827958 0.90 NPC1 (0.59) NPC1UTS2RDRD2HTR2AHTR2C
SCHEMBL4632041 0.90 NPC1 (0.59) NPC1UTS2RDRD2HTR2AHTR2C
SCHEMBL4830017 0.89 EPHX2 (0.61) NPC1LMNASMN1; SMN2HSD17B10
SCHEMBL4834046 0.88 SLC6A2 (0.54) NPC1UTS2RDRD2HTR2AHTR2C
SCHEMBL4833941 0.88 UTS2R (0.71) NPC1UTS2RDRD2HTR2AHTR2C
SCHEMBL4832218 0.86 NPC1 (0.59) NPC1UTS2RDRD2HTR2AHTR2C
SCHEMBL4834283 0.86 KMT2A (0.57) NPC1DRD2TMEM97SIGMAR1LMNA
SCHEMBL4832354 0.85 NPC1 (0.60) NPC1LMNASMN1; SMN2ACP1NCF1
SCHEMBL14279617 0.85 NPC1 (0.55) NPC1UTS2RDRD2HTR2AHTR2C
SCHEMBL4824881 0.84 NPC1 (0.55) NPC1UTS2RDRD2HTR2AHTR2C

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 NPC1 1830/4885UTS2R 1/4885DRD2 1127/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPC1 1830/4885UTS2R 1/4885DRD2 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.