SCHEMBL1328462

SCHEMBL1328462

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 13/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHR1 P34998 1/20 0.35
CNR2 P34972 2/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL2140341 0.92 C5AR1 (0.39) C5AR1MEN1KMT2ACYP1A2POLB
SCHEMBL2141129 0.92 C5AR1 (0.39) C5AR1MEN1KMT2ACYP1A2POLB
SCHEMBL1329675 0.91 C5AR1 (0.40) C5AR1MEN1KMT2ACYP1A2POLB
SCHEMBL1328135 0.91 C5AR1 (0.42) C5AR1TSHRNPSR1
SCHEMBL1327498 0.90 C5AR1 (0.39) C5AR1
SCHEMBL1329347 0.90 C5AR1 (0.38) C5AR1MEN1KMT2ACYP1A2POLB
SCHEMBL1329045 0.90 C5AR1 (0.40) C5AR1MEN1KMT2ACYP1A2POLB
SCHEMBL1327600 0.89 KDM4E (0.40) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1327365 0.87 C5AR1 (0.38) C5AR1MEN1KMT2ACYP1A2POLB
SCHEMBL1329498 0.87 C5AR1 (0.38) C5AR1MEN1KMT2ACYP1A2POLB

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 2/4885MEN1 3563/4885KMT2A 3960/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MEN1 3563/4885KMT2A 3960/4885

“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.