SCHEMBL2139579

SCHEMBL2139579

CCc1cccc(CC)c1-c1cc(OC)c(CN(Cc2ccccc2)C2CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.39
BCHE P06276 2/20 0.39

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
SCHEMBL2143286 0.96 C5AR1 (0.44) C5AR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2142057 0.95 C5AR1 (0.44) C5AR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1328573 0.91 DRD2 (0.44) C5AR1DRD2
SCHEMBL1327755 0.89 DRD2 (0.52) C5AR1DRD2
SCHEMBL1328133 0.85 C5AR1 (0.45) C5AR1DRD2
SCHEMBL1329337 0.85 TSHR (0.42) C5AR1KDM4EALDH1A1MAPK1BCHE
SCHEMBL1329417 0.82 C5AR1 (0.43) C5AR1
SCHEMBL1327517 0.82 C5AR1 (0.39) C5AR1MEN1ALDH1A1KMT2ABCHE
SCHEMBL2138276 0.82 C5AR1 (0.46) C5AR1
SCHEMBL1329333 0.81 C5AR1 (0.42) 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 C5AR1 2/4885KDM4E 2088/4885MEN1 3563/4885

“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.