SCHEMBL12934367

SCHEMBL12934367

CCc1cccc(CC)c1-c1cc(OC)c(C(=O)c2cccc3ccccc23)c(CC)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.47
CNR2 P34972 10/20 0.44
CNR1 P21554 4/20 0.44
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CDC25B P30305 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL1326863 0.89 C5AR1 (0.47) C5AR1CNR2CNR1MEN1NR1I2
SCHEMBL1326973 0.80 C5AR1 (0.43) C5AR1
SCHEMBL1327125 0.71 C5AR1 (0.44) C5AR1ALDH1A1
SCHEMBL5989871 0.69 CDC25B (0.56) CNR2CNR1MEN1KMT2ACDC25B
SCHEMBL9856908 0.68 CDC25B (0.59) CNR2CNR1ALDH1A1KMT2ACDC25B
SCHEMBL1327667 0.68 C5AR1 (0.45) C5AR1ALDH1A1CYP1A2MAPTHPGD
SCHEMBL1329049 0.68 C5AR1 (0.44) C5AR1MEN1ALDH1A1HPGDKMT2A
SCHEMBL1327486 0.68 C5AR1 (0.44) C5AR1
SCHEMBL29071977 0.67 L3MBTL1 (0.59) CNR2MEN1ALDH1A1CYP1A2MAPT
SCHEMBL1328654 0.67 C5AR1 (0.41) C5AR1MEN1KMT2A

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-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 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-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 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 2/4885CNR2 114/4885CNR1 65/4885

“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.