SCHEMBL1329943

SCHEMBL1329943

CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCSCC2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR1 P21453 2/20 0.35
POLB P06746 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1328948 0.91 C5AR1 (0.42) C5AR1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2140205 0.90 MEN1 (0.43) C5AR1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2139080 0.90 MEN1 (0.43) C5AR1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL1329564 0.84 C5AR1 (0.42) C5AR1KDM4EALDH1A1POLB
SCHEMBL1328483 0.84 C5AR1 (0.41) C5AR1KDM4ES1PR1POLBSMN1; SMN2
SCHEMBL1327356 0.82 C5AR1 (0.46) C5AR1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL1327167 0.82 CYP2A13 (0.41) C5AR1KDM4EALDH1A1S1PR1SMN1; SMN2
SCHEMBL1327250 0.82 C5AR1 (0.38) C5AR1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL1330436 0.82 KDM4E (0.43) C5AR1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL1328466 0.81 KDM4E (0.42) C5AR1KDM4EALDH1A1POLBSMN1; SMN2

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 C5AR1 2/4885KDM4E 2088/4885ALDH1A1 1966/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885KDM4E 2088/4885ALDH1A1 1966/4885

“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.