SCHEMBL15701688

SCHEMBL15701688

CC(C)N1Cc2ccccc2C[C@H]1COCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.45
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CXCR4 P61073 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TSHR P16473 1/20 0.34
LTA4H P09960 1/20 0.34
MAPK1 P28482 1/20 0.34
ACE P12821 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL15701687 0.81 CXCR4 (0.39) NR1D1OPRM1OPRD1OPRK1CXCR4
SCHEMBL28303172 0.78 MEN1 (0.45) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL29538245 0.78 MEN1 (0.45) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL15675267 0.78 NR1D1 (0.59) NR1D1OPRM1OPRD1OPRK1
SCHEMBL15675268 0.78 NR1D1 (0.59) NR1D1OPRM1OPRD1OPRK1
SCHEMBL13587827 0.73 CXCR4 (0.41) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL7309721 0.72 CXCR4 (0.40) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL22110286 0.69 CHRM3 (0.49) MAPK1
SCHEMBL22110450 0.69 CHRM3 (0.49) MAPK1
SCHEMBL14603017 0.69 CXCR4 (0.39) OPRM1OPRD1OPRK1MEN1KMT2A

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 NR1D1 3392/4885OPRM1 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.