SCHEMBL1328982

SCHEMBL1328982

CCc1cccc(CC)c1-c1cc(OC)c(COc2c(C)ccc(C)c2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 18/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
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
SCHEMBL1329731 0.86 MAPT (0.45) C5AR1SMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL1329942 0.86 C5AR1 (0.47) C5AR1ALDH1A1
SCHEMBL1329402 0.85 C5AR1 (0.42) C5AR1POLB
SCHEMBL1329117 0.84 C5AR1 (0.43) C5AR1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL1328620 0.84 C5AR1 (0.44) C5AR1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL1329473 0.83 RECQL (0.43) C5AR1
SCHEMBL1329001 0.83 CYP1A2 (0.42) C5AR1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL1328411 0.83 C5AR1 (0.40) C5AR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL1328479 0.83 L3MBTL1 (0.40) C5AR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1329038 0.81 L3MBTL1 (0.43) C5AR1SMN1; SMN2MAPTKMT2ANPC1

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 C5AR1 2/4885SMN1; SMN2 4559/4885MEN1 3563/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885SMN1; SMN2 4559/4885MEN1 3563/4885

“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.