SCHEMBL3885752

SCHEMBL3885752

O=C(N(Cc1ccccc1)C1CC[C@H]2O[C@H]2C1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.41
AGER Q15109 2/20 0.40
MTNR1A P48039 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
HCRTR2 O43614 1/20 0.40
TACR1 P25103 1/20 0.40
DCUN1D1 Q96GG9 4/20 0.39
UBE2M P61081 3/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL3885750 1.00 OPRM1 (0.41) OPRM1AGERMTNR1ACHRM2CHRM3
SCHEMBL15521608 0.76 DCUN1D1 (0.60) OPRM1AGERMTNR1ATACR1DCUN1D1
SCHEMBL1460765 0.76 AGER (0.43) OPRM1AGERMTNR1ACHRM2CHRM3
SCHEMBL6031045 0.76 AGER (0.43) OPRM1AGERMTNR1ACHRM2CHRM3
Trifluoroacetic Acid SCHEMBL19920867 0.72 MC4R (0.44) OPRM1AGERMTNR1ACHRM2CHRM3
SCHEMBL3892927 0.71 KMT2A (0.43) DCUN1D1UBE2M
SCHEMBL3897258 0.71 KMT2A (0.43) DCUN1D1UBE2M
SCHEMBL28911006 0.70 AGER (0.47) OPRM1AGERMTNR1ACHRM2CHRM3
SCHEMBL28544798 0.70 AGER (0.47) OPRM1AGERMTNR1ACHRM2CHRM3
SCHEMBL3370759 0.70 AGER (0.55) OPRM1AGERMTNR1ACHRM2CHRM3

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 OPRM1 1041/4885AGER 505/4885MTNR1A 352/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 OPRM1 1041/4885AGER 505/4885MTNR1A 352/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 OPRM1 1017/4885AGER 424/4885MTNR1A 382/4885

“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.