SCHEMBL1329951

SCHEMBL1329951

CCc1cccc(CC)c1-c1cc(OC)c(COc2cc(Cl)ccc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.42
C5AR1 P21730 7/20 0.40
TGFBR1 P36897 1/20 0.39
ADRB2 P07550 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1328668 0.87 TGFBR1 (0.46) MRGPRX4C5AR1TGFBR1ALDH1A1
SCHEMBL1328970 0.86 C5AR1 (0.38) MRGPRX4C5AR1HDAC8
SCHEMBL1329001 0.85 CYP1A2 (0.42) MRGPRX4C5AR1SMN1; SMN2HDAC8ALDH1A1
SCHEMBL1330311 0.84 C5AR1 (0.40) MRGPRX4C5AR1SMN1; SMN2HDAC8NPC1
SCHEMBL1328882 0.84 C5AR1 (0.42) C5AR1HDAC8NPC1ALDH1A1GAA
SCHEMBL1329108 0.83 MRGPRX4 (0.47) MRGPRX4C5AR1ADRB2NPC1RAB9A
SCHEMBL1327858 0.83 MRGPRX4 (0.41) MRGPRX4C5AR1TGFBR1SMN1; SMN2HDAC8
SCHEMBL1328225 0.83 L3MBTL1 (0.44) MRGPRX4C5AR1ADRB2SMN1; SMN2HDAC8
SCHEMBL1328889 0.82 MAPT (0.50) MRGPRX4C5AR1SMN1; SMN2HDAC8NPC1
SCHEMBL1328003 0.81 PARP10 (0.43) C5AR1TGFBR1HDAC8ALDH1A1GAA

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 30/4885C5AR1 2/4885TGFBR1 540/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885C5AR1 2/4885TGFBR1 540/4885

“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.