SCHEMBL8302728

SCHEMBL8302728

Cc1cc(Nc2cccc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)c2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KCNA3 P22001 1/20 0.46
NPC1 O15118 1/20 0.44
HTR1A P08908 7/20 0.44
HTR1D P28221 4/20 0.44
HTR1B P28222 4/20 0.44
LTA4H P09960 1/20 0.44
HTR7 P34969 4/20 0.44
DRD2 P14416 1/20 0.44
HTR6 P50406 1/20 0.44
MCL1 Q07820 1/20 0.43
NSD2 O96028 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
SCHEMBL4833978 0.92 TSHR (0.53) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4828022 0.86 TSHR (0.54) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4831996 0.85 TSHR (0.55) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4828137 0.84 TSHR (0.58) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4828190 0.84 TSHR (0.52) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL14279623 0.83 TSHR (0.51) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4834811 0.83 TSHR (0.56) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL14279628 0.83 TSHR (0.50) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4632715 0.81 TSHR (0.52) TSHRHTTNPC1HTR1AHTR1D
SCHEMBL4832281 0.81 TSHR (0.61) TSHRHTTNPC1LTA4H

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 7 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-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
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 (1 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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885KCNA3 3367/4885

“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.