SCHEMBL15701686

SCHEMBL15701686

CC(C)N1Cc2ccccc2C[C@H]1CN1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
OPRL1 P41146 3/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 2/20 0.39
SLC18A3 Q16572 1/20 0.38
NAMPT P43490 1/20 0.37
CXCR4 P61073 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL15701689 0.89 OPRM1 (0.46) OPRM1OPRL1HTR2AHTR2CHRH1
SCHEMBL15701683 0.89 OPRM1 (0.46) OPRM1OPRL1HTR2AHTR2CHRH1
SCHEMBL15701682 0.85 HRH3 (0.45) OPRM1OPRL1KCNH2CXCR4HRH3
SCHEMBL14149614 0.84 OPRM1 (0.58) OPRM1OPRL1HTR2AHTR2CHRH1
SCHEMBL15704209 0.84 OPRM1 (0.58) OPRM1OPRL1HTR2AHTR2CHRH1
SCHEMBL15701681 0.83 OPRM1 (0.41) OPRM1OPRL1KCNH2CXCR4MAPT
SCHEMBL15701680 0.82 OPRM1 (0.42) OPRM1OPRL1HTR2AHTR2CHRH1
SCHEMBL7309721 0.79 CXCR4 (0.40) OPRM1KCNH2CXCR4MEN1KMT2A
SCHEMBL14558528 0.79 CXCR4 (0.40) OPRM1KCNH2CXCR4MEN1KMT2A
SCHEMBL13587827 0.74 CXCR4 (0.41) OPRM1OPRL1KCNH2CXCR4MEN1

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.