SCHEMBL15701682

SCHEMBL15701682

CC(C)N1Cc2ccccc2C[C@H]1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 2/20 0.45
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
METAP1 P53582 2/20 0.40
CXCR4 P61073 1/20 0.40
CARM1 Q86X55 1/20 0.35

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
SCHEMBL15701683 0.90 OPRM1 (0.46) HRH3KCNH2OPRM1OPRL1CXCR4
SCHEMBL15701689 0.90 OPRM1 (0.46) HRH3KCNH2OPRM1OPRL1CXCR4
SCHEMBL15701680 0.87 OPRM1 (0.42) KCNH2OPRM1OPRL1LMNACXCR4
SCHEMBL15701681 0.86 OPRM1 (0.41) HRH3KCNH2OPRM1OPRL1SIGMAR1
SCHEMBL15701686 0.85 OPRM1 (0.43) HRH3KCNH2OPRM1OPRL1LMNA
SCHEMBL14149844 0.80 OPRM1 (0.64) HRH3KCNH2OPRM1OPRL1LMNA
SCHEMBL15703866 0.80 OPRM1 (0.64) HRH3KCNH2OPRM1OPRL1LMNA
SCHEMBL13587827 0.80 CXCR4 (0.41) HRH3KCNH2OPRM1OPRL1CXCR4
SCHEMBL14558528 0.78 CXCR4 (0.40) HRH3KCNH2OPRM1CXCR4
SCHEMBL7309721 0.78 CXCR4 (0.40) HRH3KCNH2OPRM1CXCR4

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 HRH3 4398/4885KCNH2 1587/4885OPRM1 4690/4885

“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.