SCHEMBL15701680

SCHEMBL15701680

CC(C)N1Cc2ccccc2C[C@H]1CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRL1 P41146 3/20 0.42
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.38
BCL2 P10415 5/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CXCR4 P61073 1/20 0.36
CYP2A13 Q16696 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL15701682 0.87 HRH3 (0.45) OPRM1OPRL1KCNH2LMNACXCR4
SCHEMBL15701683 0.86 OPRM1 (0.46) OPRM1OPRL1HTR2AHRH1HTR2C
SCHEMBL15701689 0.86 OPRM1 (0.46) OPRM1OPRL1HTR2AHRH1HTR2C
SCHEMBL15701681 0.83 OPRM1 (0.41) OPRM1OPRL1KCNH2CXCR4
SCHEMBL14149843 0.82 OPRM1 (0.60) OPRM1OPRL1HTR2AHRH1HTR2C
SCHEMBL15703786 0.82 OPRM1 (0.60) OPRM1OPRL1HTR2AHRH1HTR2C
SCHEMBL15701686 0.82 OPRM1 (0.43) OPRM1OPRL1HTR2AHRH1HTR2C
SCHEMBL13587827 0.76 CXCR4 (0.41) OPRM1OPRL1KCNH2ALDH1A1CXCR4
SCHEMBL14558528 0.75 CXCR4 (0.40) OPRM1KCNH2BCL2CXCR4MEN1
SCHEMBL7309721 0.75 CXCR4 (0.40) OPRM1KCNH2BCL2CXCR4MEN1

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 OPRM1 4690/4885OPRL1 3672/4885HTR2A 3721/4885

“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.