SCHEMBL3894271

SCHEMBL3894271

CSc1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)COC(=O)NC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.52
ADRB2 P07550 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
GLP1R P43220 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
SSTR3 P32745 1/20 0.43
RAB9A P51151 1/20 0.41
CCR3 P51677 3/20 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
SCHEMBL7108101 0.84 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL7108105 0.84 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894274 0.79 CCR2 (0.69) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3428340 0.78 CCR2 (0.58) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3885460 0.75 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3885463 0.75 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL21100750 0.69 PLK1 (0.63) RAB9A
SCHEMBL18844440 0.68 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL5554295 0.68 CCR2 (0.71) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3428342 0.68 CCR2 (0.71) CCR2ADRB2HRH1DRD3GLP1R

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 6 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
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 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 (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 CCR2 5/4885ADRB2 311/4885HRH1 315/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885ADRB2 311/4885HRH1 315/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885ADRB2 345/4885HRH1 337/4885

“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.