SCHEMBL1328958

SCHEMBL1328958

CCc1cccc(CC)c1-c1cc(C)c(CN2CCOCC2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.47
CXCR4 P61073 1/20 0.43
C5AR1 P21730 5/20 0.42
PIK3CD O00329 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL2137925 0.88 C5AR1 (0.43) C5AR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2141586 0.88 C5AR1 (0.43) C5AR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1329564 0.86 C5AR1 (0.42) CYP2A13C5AR1ALDH1A1KDM4EGAA
SCHEMBL1328672 0.85 DHFR (0.48) C5AR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1329014 0.84 C5AR1 (0.45) C5AR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1328168 0.82 CYP2A13 (0.43) CYP2A13CXCR4PIK3CDALDH1A1MEN1
SCHEMBL1328012 0.82 HTR7 (0.47) C5AR1LMNAGAAHTT
SCHEMBL1328774 0.81 CYP2A13 (0.46) CYP2A13C5AR1ALDH1A1MEN1KMT2A
SCHEMBL1327929 0.81 HTR7 (0.49) C5AR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL1328010 0.81 C5AR1 (0.40) C5AR1ALDH1A1MEN1KMT2AHSD17B10

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 CYP2A13 1143/4885CXCR4 200/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CYP2A13 1143/4885CXCR4 200/4885C5AR1 2/4885

“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.