SCHEMBL1328614

SCHEMBL1328614

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(C)cc2Cl)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
C5AR1 P21730 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
S1PR1 P21453 4/20 0.36
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMO O15229 1/20 0.34
AKR1C3 P42330 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL1327779 0.90 L3MBTL1 (0.46) C5AR1L3MBTL1MAPTKDM4E
SCHEMBL1327952 0.90 KDM4E (0.41) C5AR1L3MBTL1MAPTFFAR1FFAR4
SCHEMBL1328381 0.90 FFAR4 (0.41) MRGPRX4C5AR1L3MBTL1MAPTRAB9A
SCHEMBL1327872 0.90 C5AR1 (0.39) C5AR1MAPTRAB9AS1PR1FFAR1
SCHEMBL1328398 0.89 C5AR1 (0.37) MRGPRX4C5AR1S1PR1FFAR4KMO
SCHEMBL1327830 0.88 MAPT (0.39) C5AR1MAPTRAB9AKDM4E
SCHEMBL1328955 0.88 C5AR1 (0.37) MRGPRX4C5AR1L3MBTL1MAPTS1PR1
SCHEMBL2140563 0.88 MRGPRX4 (0.52) MRGPRX4
SCHEMBL1329312 0.87 C5AR1 (0.40) C5AR1S1PR1FFAR1FFAR4AKR1C3
SCHEMBL1328473 0.87 C5AR1 (0.38) C5AR1MAPTS1PR1NR1H4

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 2/4885L3MBTL1 3202/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885C5AR1 2/4885L3MBTL1 3202/4885

“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.