SCHEMBL3897258

SCHEMBL3897258

CC(C)(C)OC(=O)NC1CCC(N(Cc2ccccc2)C(=O)C(F)(F)F)CC1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKT1 P31749 3/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
HSD11B1 P28845 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
REN P00797 1/20 0.38
CETP P11597 1/20 0.38
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KCNA3 P22001 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL3892927 0.92 KMT2A (0.43) KMT2AL3MBTL1AKT1MAOBKDM1A
SCHEMBL31352204 0.82 KMT2A (0.46) KMT2AL3MBTL1AKT1MAOBKDM1A
SCHEMBL1813191 0.77 KMT2A (0.55) KMT2AL3MBTL1AKT1MAOBKDM1A
SCHEMBL12465635 0.76 KMT2A (0.46) KMT2AL3MBTL1AKT1MAOBKDM1A
SCHEMBL23871461 0.72 ALDH1A1 (0.54) KMT2AL3MBTL1MAOBKDM1ACTSL
SCHEMBL3345137 0.72 CPB1 (0.50) KMT2AL3MBTL1MAOBKDM1ACTSL
SCHEMBL3345139 0.72 CPB1 (0.50) KMT2AL3MBTL1MAOBKDM1ACTSL
SCHEMBL18544476 0.72 ALDH1A1 (0.54) KMT2AL3MBTL1MAOBKDM1ACTSL
SCHEMBL716913 0.72 CPB1 (0.50) KMT2AL3MBTL1MAOBKDM1ACTSL
SCHEMBL741378 0.72 CPB1 (0.50) KMT2AL3MBTL1MAOBKDM1ACTSL

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-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 (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-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KMT2A 4466/4885L3MBTL1 4779/4885AKT1 925/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KMT2A 4534/4885L3MBTL1 4794/4885AKT1 942/4885

“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.