SCHEMBL4246015

SCHEMBL4246015

COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00
KCNH2 Q12809 1/20 0.81

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
SCHEMBL13911534 1.00 CCR5 (1.00) CCR5KCNH2
SCHEMBL4242194 1.00 CCR5 (1.00) CCR5KCNH2
SCHEMBL4243988 0.93 CCR5 (0.88) CCR5KCNH2
SCHEMBL4243990 0.93 CCR5 (0.88) CCR5KCNH2
SCHEMBL4246830 0.93 CCR5 (0.87) CCR5KCNH2
SCHEMBL4246782 0.92 CCR5 (0.86) CCR5KCNH2
SCHEMBL4246779 0.92 CCR5 (0.86) CCR5KCNH2
SCHEMBL4238345 0.92 CCR5 (1.00) CCR5KCNH2
SCHEMBL4238349 0.92 CCR5 (1.00) CCR5KCNH2
SCHEMBL4242222 0.92 CCR5 (0.84) 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
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
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
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.