SCHEMBL4829912

SCHEMBL4829912

Cc1cc(Nc2ccc(C)c(OCCN3CCC(Cc4ccccc4)CC3)c2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.56
HTR1D P28221 17/20 0.56
HTR1B P28222 17/20 0.56
ADRB2 P07550 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR1E P28566 1/20 0.53
HTR1F P30939 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
ADRA1B P35368 1/20 0.53
HTR2B P41595 1/20 0.53
HTR5A P47898 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACP1 P24666 1/20 0.49

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
SCHEMBL4832189 0.92 HTR1A (0.55) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4632713 0.87 HTR1A (0.57) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4633305 0.83 TMEM97 (0.56) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4631826 0.82 HTR1A (0.51) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4832139 0.79 TSHR (0.53) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4633369 0.79 HTR1D (0.47) HTR1AHTR1DHTR1BHTR7
SCHEMBL4633362 0.79 ACP1 (0.53) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4831965 0.78 GRIN2B (0.51) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4632874 0.77 ACP1 (0.50) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL4632755 0.77 NPC1 (0.55) HTR1AHTR1DHTR1BACP1

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-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

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 HTR1A 600/4885HTR1D 533/4885HTR1B 342/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR1A 600/4885HTR1D 533/4885HTR1B 342/4885

“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.