SCHEMBL4825065

SCHEMBL4825065

Cc1cc(Nc2cccc(C#CCCN3CCc4ccccc4C3)c2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.39
UTS2R Q9UKP6 2/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ABCC1 P33527 1/20 0.39
ACP1 P24666 2/20 0.38
GUSB P08236 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4664647 0.91 TSHR (0.46) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4665239 0.83 ADRA2A (0.48) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL14306548 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL14306212 0.81 ACP1 (0.52) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4829938 0.80 ADRA2A (0.48) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4834134 0.80 ADRA2A (0.47) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4666231 0.79 ADRA2A (0.51) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4824881 0.78 NPC1 (0.55) ADRA2AADRA2BADRA2CNPC1DRD2
SCHEMBL4825210 0.78 HTR7 (0.58) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4666167 0.78 ALOX15 (0.54) ADRA2AADRA2BADRA2CHTTNPC1

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 6 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-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 ADRA2A 200/4885ADRA2B 227/4885ADRA2C 163/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ADRA2A 200/4885ADRA2B 227/4885ADRA2C 163/4885

“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.