SCHEMBL15701679

SCHEMBL15701679

CC(C)N1Cc2ccccc2C[C@H]1CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.46
OPRM1 P35372 3/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
HTR2A P28223 3/20 0.42
HRH1 P35367 3/20 0.42
METAP1 P53582 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 2/20 0.37
ADRA1A P35348 2/20 0.37
DRD3 P35462 2/20 0.37
KCNH2 Q12809 2/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL15701685 0.84 CXCR4 (0.47) CXCR4OPRM1OPRD1OPRK1HTR2A
SCHEMBL15701684 0.82 CXCR4 (0.43) CXCR4OPRM1OPRD1OPRK1DRD3
SCHEMBL13587827 0.82 CXCR4 (0.41) CXCR4OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL14558528 0.81 CXCR4 (0.40) CXCR4OPRM1OPRD1OPRK1DRD3
SCHEMBL7309721 0.81 CXCR4 (0.40) CXCR4OPRM1OPRD1OPRK1DRD3
SCHEMBL15701687 0.79 CXCR4 (0.39) CXCR4OPRM1OPRD1OPRK1HTR2A
SCHEMBL14149846 0.79 HTR2A (0.46) CXCR4OPRM1OPRD1OPRK1HTR2A
SCHEMBL29538245 0.78 MEN1 (0.45) CXCR4OPRM1OPRD1OPRK1MEN1
SCHEMBL28303172 0.78 MEN1 (0.45) CXCR4OPRM1OPRD1OPRK1MEN1
SCHEMBL13337023 0.77 CXCR4 (0.41) CXCR4OPRM1OPRD1OPRK1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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 (1 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 CXCR4 3841/4885OPRM1 4690/4885OPRD1 4012/4885

“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.