SCHEMBL1329593

SCHEMBL1329593

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 1/20 0.44
C5AR1 P21730 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
PPARD Q03181 6/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
APLNR P35414 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAOB P27338 3/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1328720 0.90 MAPT (0.42) C5AR1TDO2
SCHEMBL1329221 0.86 C5AR1 (0.42) C5AR1MRGPRX4FFAR1FFAR4TSHR
SCHEMBL1329080 0.86 C5AR1 (0.41) C5AR1MAOB
SCHEMBL1327590 0.85 PARP10 (0.41) C5AR1MRGPRX4PPARGMAOB
SCHEMBL1327581 0.85 MAPT (0.41) C5AR1
SCHEMBL1330153 0.84 C5AR1 (0.39) C5AR1FFAR1
SCHEMBL1328043 0.83 FFAR1 (0.42) C5AR1PDE4APDE4BPDE4CPDE4D
SCHEMBL1327759 0.83 C5AR1 (0.47) FOXM1C5AR1MRGPRX4PPARDPDE4A
SCHEMBL1327580 0.82 L3MBTL1 (0.41) FFAR1
SCHEMBL1329117 0.82 C5AR1 (0.43) C5AR1FFAR1TSHRSMN1; SMN2

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 4 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-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 (1 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 FOXM1 634/4885C5AR1 2/4885MRGPRX4 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.