SCHEMBL1329945

SCHEMBL1329945

CCc1cccc(CC)c1-c1nc(C)c(COc2ccc(F)c(C(F)(F)F)c2)c(OC)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
AR P10275 5/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
P2RX7 Q99572 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PPARD Q03181 2/20 0.32
NR1H3 Q13133 1/20 0.32
CRHR1 P34998 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32

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
SCHEMBL1328324 0.85 PPARG (0.36) NR1H4P2RX7PARP10
SCHEMBL1328502 0.83 KDM4E (0.39) MRGPRX4PARP15PARP10
SCHEMBL1328302 0.83 MAPT (0.38)
SCHEMBL1328301 0.83 MRGPRX4 (0.38) MRGPRX4CRHR1FFAR4
SCHEMBL1329446 0.83 C5AR1 (0.39) ARMRGPRX4PARP15PARP10
SCHEMBL1329325 0.82 AR (0.37) NR1H4ARRXRAGRIN1GRIN2B
SCHEMBL1329202 0.82 RAB9A (0.37) PPARDCRHR1
SCHEMBL1327657 0.82 MEN1 (0.38)
SCHEMBL1329949 0.81 L3MBTL1 (0.37) NR1H4CRHR1
SCHEMBL1329216 0.81 CD274 (0.33) NR1H4CRHR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 NR1H4 543/4885AR 258/4885MRGPRX4 30/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 NR1H4 543/4885AR 258/4885MRGPRX4 30/4885

“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.