SCHEMBL4250765

SCHEMBL4250765

C[C@H](CC#N)N1CCC(Nc2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
CCR6 P51684 1/20 0.38
MEN1 O00255 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MAPT P10636 1/20 0.38
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NSD2 O96028 2/20 0.35

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
SCHEMBL4250769 1.00 SYK (0.39) SYKLMNAKMT2ACCR6MEN1
SCHEMBL4237627 0.87 CCR6 (0.50) CCR6HRH3MAPTALDH1A1NSD2
SCHEMBL4237633 0.87 CCR6 (0.50) CCR6HRH3MAPTALDH1A1NSD2
SCHEMBL4249067 0.85 EPHX2 (0.46)
SCHEMBL4249075 0.85 EPHX2 (0.46)
SCHEMBL4241975 0.85 MAPT (0.55) LMNACCR6HRH3MAPTALDH1A1
SCHEMBL4241972 0.85 MAPT (0.55) LMNACCR6HRH3MAPTALDH1A1
SCHEMBL4250664 0.81 CARM1 (0.48) CCR6ALDH1A1NSD2
SCHEMBL4250673 0.81 CARM1 (0.48) CCR6ALDH1A1NSD2
SCHEMBL4243508 0.80 SLC6A4 (0.37) LMNACCR6HRH3MAPTALDH1A1

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 4 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
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 SYK 1640/4885LMNA 3892/4885KMT2A 4039/4885

“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.