SCHEMBL3885463

SCHEMBL3885463

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.53
PLK1 P53350 1/20 0.50
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SSTR3 P32745 4/20 0.47
MLYCD O95822 1/20 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
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44

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
SCHEMBL3885460 1.00 CCR2 (0.53) CCR2PLK1HPGDRAB9ASMN1; SMN2
SCHEMBL3428340 0.81 CCR2 (0.58) CCR2PLK1SSTR3MLYCDADRB2
SCHEMBL7108101 0.79 CCR2 (0.53) CCR2RAB9ASSTR3ADRB2HRH1
SCHEMBL7108105 0.79 CCR2 (0.53) CCR2RAB9ASSTR3ADRB2HRH1
SCHEMBL23570947 0.78 PLK1 (0.59) PLK1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL775118 0.76 SSTR3 (0.61) RAB9ASMN1; SMN2NPC1SSTR3
SCHEMBL3894274 0.75 CCR2 (0.69) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894271 0.75 CCR2 (0.52) CCR2RAB9ASSTR3ADRB2HRH1
SCHEMBL13496960 0.73 CHRNA7 (0.73) CHRNA7
SCHEMBL27980774 0.73 TRPV1 (0.59) HPGDRAB9ASMN1; SMN2NPC1CYP1A2

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 CCR2 5/4885PLK1 4448/4885HPGD 764/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885PLK1 4448/4885HPGD 764/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885PLK1 4437/4885HPGD 692/4885

“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.