SCHEMBL5354418

SCHEMBL5354418

O=C(c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 1.00
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CNR2 P34972 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALPL P05186 2/20 0.52
DPP4 P27487 1/20 0.52
DPP8 Q6V1X1 1/20 0.52

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
SCHEMBL5354021 0.83 CNR1 (1.00) CNR1CNR2
SCHEMBL6807596 0.83 CNR1 (0.71) CNR1NPC1RAB9ACNR2CASP3
SCHEMBL5358199 0.79 CNR1 (0.70) CNR1CNR2
SCHEMBL5366853 0.79 CNR1 (1.00) CNR1NPC1RAB9ACNR2CASP3
SCHEMBL1629302 0.77 CNR1 (0.70) CNR1NPC1RAB9ACNR2CASP3
SCHEMBL5366167 0.76 CNR1 (1.00) CNR1NPC1RAB9ACNR2
SCHEMBL5354458 0.76 CNR1 (1.00) CNR1NPC1RAB9ACNR2
SCHEMBL13307847 0.75 CNR1 (0.91) CNR1CNR2
SCHEMBL5363014 0.75 CNR1 (0.65) CNR1CNR2
SCHEMBL5359856 0.74 CNR1 (1.00) CNR1NPC1RAB9ACNR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US claimed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US claimed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP claimed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 WO claimed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 WO 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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG CNR1 1/4885NPC1 424/4885RAB9A 1832/4885

“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.