SCHEMBL4834283

SCHEMBL4834283

Cc1cc(Nc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
SIGMAR1 Q99720 1/20 0.57
NPC1 O15118 1/20 0.56
DRD4 P21917 5/20 0.56
SLC6A12 P48065 1/20 0.56
SLC6A13 Q9NSD5 1/20 0.56
MEN1 O00255 1/20 0.53
MAOB P27338 1/20 0.52
MCHR1 Q99705 2/20 0.52
DRD2 P14416 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
PRKAA2 P54646 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51

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
SCHEMBL4828272 0.95 DRD2 (0.59) KMT2ASIGMAR1NPC1DRD4MCHR1
SCHEMBL4832299 0.86 NPC1 (0.56) SIGMAR1NPC1DRD4DRD2TMEM97
SCHEMBL4834147 0.85 ALDH1A1 (0.59) KMT2ANPC1SMN1; SMN2
SCHEMBL4832354 0.84 NPC1 (0.60) KMT2ANPC1MEN1LMNASMN1; SMN2
SCHEMBL4832005 0.83 DCUN1D1 (0.58) KMT2ASIGMAR1NPC1DRD4DRD2
SCHEMBL4834046 0.81 SLC6A2 (0.54) SIGMAR1NPC1DRD2TMEM97
SCHEMBL4834703 0.78 NPC1 (0.53) SIGMAR1NPC1DRD2TMEM97LMNA
SCHEMBL4633673 0.78 NPC1 (0.53) SIGMAR1NPC1DRD2TMEM97LMNA
SCHEMBL14288557 0.78 NPC1 (0.53) SIGMAR1NPC1DRD2TMEM97LMNA
SCHEMBL4633676 0.78 NPC1 (0.53) SIGMAR1NPC1DRD2TMEM97LMNA

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 9 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-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 KMT2A 4263/4885SIGMAR1 708/4885NPC1 1830/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KMT2A 4263/4885SIGMAR1 708/4885NPC1 1830/4885

“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.