SCHEMBL2140643

SCHEMBL2140643

CCc1cccc(CC)c1-c1cc(C)c(CN(Cc2ccccc2)C2CCCCC2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
C5AR1 P21730 11/20 0.38
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
YTHDC1 Q96MU7 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL2140349 0.99 KDM4E (0.40) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL1327674 0.95 YTHDC1 (0.39) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL2142923 0.89 C5AR1 (0.39) ALDH1A1TSHRKDM4EC5AR1SMN1; SMN2
SCHEMBL1329095 0.88 C5AR1 (0.47) C5AR1
SCHEMBL1328249 0.87 C5AR1 (0.47) C5AR1
SCHEMBL2142061 0.86 C5AR1 (0.44) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL2137248 0.85 C5AR1 (0.45) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL2139807 0.84 HSD17B10 (0.38) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL2142204 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL2138276 0.83 C5AR1 (0.46) C5AR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALDH1A1 1966/4885HSD17B10 4436/4885TSHR 231/4885

“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.