SCHEMBL4237633

SCHEMBL4237633

COc1ccc(NC2CCN(C(C)CC#N)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.50
ALDH1A1 P00352 3/20 0.46
GFER P55789 1/20 0.45
NSD2 O96028 2/20 0.43
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 2/20 0.40
DPP4 P27487 1/20 0.40
PABPC1 P11940 1/20 0.40
GAA P10253 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38

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
SCHEMBL4237627 1.00 CCR6 (0.50) CCR6ALDH1A1GFERNSD2HRH3
SCHEMBL4241972 0.88 MAPT (0.55) CCR6ALDH1A1HRH3MAPTGAA
SCHEMBL4241975 0.88 MAPT (0.55) CCR6ALDH1A1HRH3MAPTGAA
SCHEMBL4250765 0.87 SYK (0.39) CCR6ALDH1A1NSD2HRH3MAPT
SCHEMBL4250769 0.87 SYK (0.39) CCR6ALDH1A1NSD2HRH3MAPT
SCHEMBL4249067 0.86 EPHX2 (0.46) CTSLCTSSCTSKUBE2MDCUN1D1
SCHEMBL4249075 0.86 EPHX2 (0.46) CTSLCTSSCTSKUBE2MDCUN1D1
SCHEMBL4250664 0.84 CARM1 (0.48) CCR6ALDH1A1NSD2UBE2MDCUN1D1
SCHEMBL4250673 0.84 CARM1 (0.48) CCR6ALDH1A1NSD2UBE2MDCUN1D1
SCHEMBL4243508 0.82 SLC6A4 (0.37) CCR6ALDH1A1NSD2HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP 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
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (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-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 CCR6 11/4885ALDH1A1 2515/4885GFER 1988/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR6 17/4885ALDH1A1 3358/4885GFER 4200/4885

“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.