SCHEMBL8304595

SCHEMBL8304595

Nc1cccc(CN2CCc3ccccc3C2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
NOS1 P29475 1/20 0.51
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
DRD4 P21917 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ACHE P22303 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL6968014 0.98 L3MBTL1 (0.54) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10415375 0.86 ACHE (0.58) L3MBTL1KDM4EALDH1A1MAPTHTT
SCHEMBL4663782 0.83 SIGMAR1 (0.63) HRH1HTR2BSIGMAR1
SCHEMBL3148257 0.83 MEN1 (0.67) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31134754 0.82 ACHE (0.66) MEN1KMT2AKDM4EALDH1A1NOS1
SCHEMBL10978742 0.82 ACHE (0.66) MEN1KMT2AKDM4EALDH1A1NOS1
SCHEMBL14234933 0.82 SIGMAR1 (0.64) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6973388 0.82 TMEM97 (0.60) MEN1KMT2ANOS1ADRA2AADRA2B
SCHEMBL8900524 0.82 PNMT (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL8176576 0.81 PNMT (0.52) MEN1KMT2AKDM4EALDH1A1MAPT

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 4 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-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
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 L3MBTL1 4855/4885MEN1 2624/4885KMT2A 4263/4885

“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.