SCHEMBL2992224

SCHEMBL2992224

CNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.50
CCR5 P51681 3/20 0.47
ADRB2 P07550 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
GLP1R P43220 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLK1 P53350 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MCL1 Q07820 1/20 0.41
SORT1 Q99523 1/20 0.41

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
SCHEMBL686659 0.89 CCR2 (0.51) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2993504 0.87 CCR2 (0.61) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL5127442 0.83 LIPC (0.53) MEN1KMT2APLK1MAPTSORT1
SCHEMBL2995691 0.82 CCR2 (0.58) CCR2CCR5PLK1
SCHEMBL2981556 0.82 KCNQ3 (0.47) CCR2CCR5MEN1KMT2APLK1
SCHEMBL2993581 0.81 CCR2 (0.45) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL3888117 0.81 CCR2 (0.50) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL686811 0.79 CCR2 (0.53) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL687373 0.79 CCR2 (0.55) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL21841270 0.77 DDR1 (0.51) MAPTHTTL3MBTL1EGLN1MCL1

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-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US 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-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 (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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 CCR2 10/4885CCR5 9/4885ADRB2 387/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 CCR2 10/4885CCR5 9/4885ADRB2 363/4885

“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.