SCHEMBL2992022

SCHEMBL2992022

CCOC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.60
KCNH2 Q12809 11/20 0.60
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 1/20 0.50
CRHR1 P34998 1/20 0.46
NTRK1 P04629 1/20 0.45
FADS1 O60427 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K4 P45985 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPK6 Q16659 1/20 0.45

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
SCHEMBL1361086 0.83 CCR2 (0.57) CCR2KCNH2GSK3BCRHR1FADS1
SCHEMBL14528922 0.82 CCR2 (0.56) CCR2KCNH2GSK3BCRHR1FADS1
SCHEMBL4789973 0.79 KDM4E (0.60)
SCHEMBL6476809 0.76 GSK3B (0.82) GSK3B
SCHEMBL12050515 0.76 CCR2 (1.00) CCR2KCNH2
SCHEMBL2634564 0.76 CCR2 (1.00) CCR2KCNH2
SCHEMBL11701956 0.76 GSK3B (0.51) CCR2KCNH2L3MBTL1GSK3BCRHR1
SCHEMBL11969786 0.75 GSK3B (0.49) CCR2KCNH2GSK3BCRHR1FADS1
SCHEMBL2634461 0.75 CCR2 (0.69) CCR2KCNH2CRHR1
SCHEMBL6487177 0.75 GSK3B (0.78) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 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 (3 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCR2 3/4885KCNH2 1662/4885L3MBTL1 4606/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 CCR2 10/4885KCNH2 3275/4885L3MBTL1 4046/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 CCR2 10/4885KCNH2 2992/4885L3MBTL1 4155/4885

“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.