SCHEMBL1329045

SCHEMBL1329045

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CRHR1 P34998 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.34
S1PR1 P21453 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL1327873 0.93 C5AR1 (0.37) C5AR1SMN1; SMN2S1PR1KMT2AMEN1
SCHEMBL1327743 0.92 ACHE (0.37) C5AR1SMN1; SMN2ALDH1A1S1PR1KMT2A
SCHEMBL1327775 0.91 C5AR1 (0.38) C5AR1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL1330171 0.91 C5AR1 (0.40) C5AR1KDM4EALDH1A1S1PR1KMT2A
SCHEMBL1328746 0.91 C5AR1 (0.36) C5AR1SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL2139070 0.91 MEN1 (0.41) C5AR1SMN1; SMN2KDM4EALDH1A1S1PR1
SCHEMBL1329675 0.91 C5AR1 (0.40) C5AR1SMN1; SMN2KDM4EALDH1A1CRHR1
SCHEMBL1329190 0.90 C5AR1 (0.40) C5AR1KMT2AMEN1
SCHEMBL1327387 0.90 MEN1 (0.38) C5AR1SMN1; SMN2KDM4EALDH1A1S1PR1
SCHEMBL1327863 0.90 MCHR1 (0.39) C5AR1KDM4ETSHRATM

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 2/4885SMN1; SMN2 4559/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885SMN1; SMN2 4559/4885KDM4E 2088/4885

“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.