SCHEMBL4243213

SCHEMBL4243213

CCc1ccc(N(Cc2cnccc2C)C2CCN(C(C)CC(N)=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.55
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4240776 0.92 CCR5 (0.57) CCR5KCNH2
SCHEMBL4236379 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL4242892 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL4242906 0.89 CCR5 (0.54) CCR5KCNH2
SCHEMBL4240150 0.89 CCR5 (0.69) CCR5KCNH2
SCHEMBL4240749 0.89 CCR5 (0.69) CCR5KCNH2
SCHEMBL4241159 0.87 CCR5 (0.57) CCR5KCNH2
SCHEMBL4243216 0.86 CCR5 (0.55) CCR5KCNH2
SCHEMBL4249168 0.85 CCR5 (0.53) CCR5KCNH2
SCHEMBL4242069 0.85 CCR5 (0.57) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP claimed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO claimed
US-7498346-B2 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide GENZYME CORPORATION (US) 2009-03-03 US disclosed
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP disclosed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed
US-20050277668-A1 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide ANORMED INC. 2005-12-15 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-20050277668-A1 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide CCR5, CCR2, CXCR3 CCR5 1/4885KCNH2 2390/4885

“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.