SCHEMBL15701649

SCHEMBL15701649

CC(C)c1ccc2c(c1)CCN2CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
TMEM97 Q5BJF2 2/20 0.49
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP3A4 P08684 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL15701643 0.88 PTGER4 (0.46) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL15704236 0.84 SIGMAR1 (0.52) SIGMAR1CYP1A2CYP2D6TMEM97TP53
SCHEMBL14149419 0.76 CA1 (0.48) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL15701648 0.75 TP53 (0.52) TP53
SCHEMBL15701829 0.74 HTR2A (0.40) TP53
SCHEMBL15701661 0.74 KCNH2 (0.43)
SCHEMBL13340931 0.74 NOTUM (0.45) CYP1A2CYP2D6TP53CYP3A4
SCHEMBL15701646 0.74 ADRB2 (0.47) TP53
SCHEMBL14027776 0.73 HTR2A (0.43) CYP1A2CYP2D6TP53CYP3A4
SCHEMBL15524922 0.72 LMNA (0.41) TP53

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 SIGMAR1 2792/4885CYP1A2 4423/4885CYP2D6 3014/4885

“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.