SCHEMBL2139751

SCHEMBL2139751

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)c(Cl)cc2C(C)C)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.36
C5AR1 P21730 9/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL1328398 0.88 C5AR1 (0.37) NR1H4C5AR1
SCHEMBL1330250 0.85 MRGPRX4 (0.40) NR1H4C5AR1GAATSHRSMN1; SMN2
SCHEMBL1327830 0.85 MAPT (0.39) C5AR1TSHRMAPK1SMN1; SMN2RAB9A
SCHEMBL1329605 0.85 C5AR1 (0.40) C5AR1
SCHEMBL1328473 0.84 C5AR1 (0.38) NR1H4C5AR1
SCHEMBL1330242 0.84 C5AR1 (0.38) NR1H4C5AR1TSHRSMN1; SMN2
SCHEMBL1328614 0.83 MRGPRX4 (0.40) NR1H4C5AR1RAB9A
SCHEMBL1327694 0.83 C5AR1 (0.37) NR1H4C5AR1GAASMN1; SMN2RAB9A
SCHEMBL1329563 0.83 C5AR1 (0.37) NR1H4C5AR1GAARAB9A
SCHEMBL1330673 0.83 C5AR1 (0.38) NR1H4C5AR1

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-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 (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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 NR1H4 543/4885C5AR1 2/4885GAA 4839/4885

“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.