SCHEMBL3897166

SCHEMBL3897166

O=C(O)CNC(=O)c1cc(C(F)(F)F)ccc1NC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
CCR2 P41597 10/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
ADRB2 P07550 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
GLP1R P43220 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.41
CCR5 P51681 2/20 0.41
USP5 P45974 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL5113833 0.84 LIPC (0.60) LIPCLIPGKDM1AMAPTKDM4E
SCHEMBL3888117 0.78 CCR2 (0.50) LIPCLIPGCCR2ADRB2HRH1
SCHEMBL3585694 0.77 LIPG (0.64) LIPCLIPGKDM1AKDM4ETDP1
SCHEMBL496065 0.76 ALDH1A1 (0.51) LIPCLIPGKDM1AMAPTKDM4E
SCHEMBL687373 0.76 CCR2 (0.55) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL686811 0.76 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL13568751 0.75 CA12 (0.42) MAPTALOX15USP5
SCHEMBL2992224 0.75 CCR2 (0.50) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2993504 0.74 CCR2 (0.61) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL21841270 0.74 DDR1 (0.51) MAPTKDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT 2006-06-22 US disclosed
US-7045521-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-16 US disclosed
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT (US) 2004-06-10 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 US disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 LIPC 2777/4885LIPG 561/4885CCR2 5/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 LIPC 2777/4885LIPG 561/4885CCR2 5/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 LIPC 2767/4885LIPG 507/4885CCR2 5/4885

“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.