SCHEMBL1328403

SCHEMBL1328403

CCc1cccc(CC)c1-c1cc(C)c(COc2ccc(Cl)c(C)c2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL1327637 0.93 L3MBTL1 (0.40) MRGPRX4MAPTTSHRNPY1RNPY2R
SCHEMBL1327453 0.90 MAPT (0.47) MRGPRX4MAPTTSHRNPY1RNPY2R
SCHEMBL1329779 0.90 PPARG (0.38) MRGPRX4HPGDSMN1; SMN2RAB9ALMNA
SCHEMBL1329437 0.90 C5AR1 (0.39) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL1328305 0.88 MRGPRX4 (0.42) MRGPRX4MAPTHPGDMCL1L3MBTL1
SCHEMBL1330250 0.87 MRGPRX4 (0.40) MRGPRX4MAPTTSHRNPY1RNPY2R
SCHEMBL2141583 0.87 PTGDR2 (0.39) MAPTNR1H4
SCHEMBL1329518 0.86 PPARG (0.38) MRGPRX4TSHRL3MBTL1POLBC5AR1
SCHEMBL1329374 0.86 ALOX5 (0.40) MRGPRX4MAPTHPGDSMN1; SMN2NPC1
SCHEMBL1327866 0.86 C5AR1 (0.39) MAPTHPGDSMN1; SMN2ALDH1A1LMNA

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 MRGPRX4 30/4885MAPT 4726/4885TSHR 231/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885MAPT 4726/4885TSHR 231/4885

“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.