SCHEMBL4828137

SCHEMBL4828137

Cc1cc(Nc2cccc(OCCN3CCC(C)CC3)c2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 2/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH3 Q9Y5N1 7/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
HTR1A P08908 3/20 0.45
HTR1D P28221 3/20 0.45
HTR1B P28222 3/20 0.45
ADRB2 P07550 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL4834811 0.91 TSHR (0.56) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4832281 0.89 TSHR (0.61) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4632713 0.89 HTR1A (0.57) TSHRHTTHTR1AHTR1DHTR1B
SCHEMBL4828022 0.89 TSHR (0.54) TSHRHTTKDM4EADRA2AADRA2B
SCHEMBL4832139 0.88 TSHR (0.53) TSHRHTTHTR1AHTR1DHTR1B
SCHEMBL4833978 0.88 TSHR (0.53) TSHRHTTKDM4ENPC1HTR1A
SCHEMBL4831996 0.88 TSHR (0.55) TSHRHTTKDM4EHRH3LMNA
SCHEMBL4632715 0.88 TSHR (0.52) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4828190 0.87 TSHR (0.52) TSHRHTTKDM4EADRA2AADRA2B
SCHEMBL4632731 0.87 HTR1D (0.60) TSHRHTTKDM4ELMNAHTR1A

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 TSHR 1103/4885HTT 1829/4885KDM4E 4818/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885KDM4E 4818/4885

“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.