SCHEMBL1328668

SCHEMBL1328668

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(Cl)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.42
PTGER1 P34995 6/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
TBXA2R P21731 2/20 0.40
PTGS1 P23219 2/20 0.40
CYP2C19 P33261 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
C5AR1 P21730 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL1328404 0.89 ALDH1A1 (0.50) TGFBR1C5AR1MEN1KMT2APKM
SCHEMBL1329951 0.87 MRGPRX4 (0.42) TGFBR1MRGPRX4C5AR1ALDH1A1
SCHEMBL1328523 0.84 C5AR1 (0.40) TGFBR1C5AR1MEN1KMT2APKM
SCHEMBL1327858 0.83 MRGPRX4 (0.41) TGFBR1MRGPRX4C5AR1HPGDMAPK14
SCHEMBL1328504 0.83 KDM4E (0.42) TGFBR1MRGPRX4C5AR1MEN1KMT2A
SCHEMBL1328913 0.83 ALDH1A1 (0.40) TGFBR1MRGPRX4C5AR1MEN1KMT2A
SCHEMBL1328412 0.83 MAPT (0.39) TGFBR1CYP1A2C5AR1MEN1KMT2A
SCHEMBL2140390 0.82 C5AR1 (0.43) TGFBR1MRGPRX4PTGER1CYP1A2CYP2C9
SCHEMBL1328411 0.82 C5AR1 (0.40) TGFBR1CYP1A2C5AR1MEN1KMT2A
SCHEMBL1328003 0.82 PARP10 (0.43) TGFBR1C5AR1ALDH1A1

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 TGFBR1 540/4885MRGPRX4 30/4885PTGER1 173/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 TGFBR1 540/4885MRGPRX4 30/4885PTGER1 173/4885

“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.