SCHEMBL3485536

SCHEMBL3485536

CCOC(=O)C(C)(C)c1cc(Br)c2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
POLB P06746 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
SCN10A Q9Y5Y9 5/20 0.36
KCNH2 Q12809 3/20 0.36
KCNQ2 O43526 1/20 0.36
FBP1 P09467 1/20 0.35
PDE2A O00408 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL3484832 0.83 KCNQ2 (0.48) POLBSCN10AKCNH2KCNQ2PDE2A
SCHEMBL8156914 0.78 CNR2 (0.40) CNR2POLBSCN10AKCNH2FBP1
SCHEMBL3485210 0.72 KCNH2 (0.41) CNR2SCN10AKCNH2KCNQ2CYP1A2
SCHEMBL3486003 0.72 ALDH1A1 (0.47) POLB
SCHEMBL3485512 0.71 KCNQ2 (0.62) CNR2KCNQ2
SCHEMBL13435458 0.71 KCNQ2 (0.48) CNR2ADORA2AADORA2BKCNQ2
SCHEMBL3485845 0.71 ACACB (0.38) CNR2POLBFBP1HRH2HRH1
SCHEMBL13435722 0.70 EPHX2 (0.35) CNR2POLBFBP1HRH2HRH1
SCHEMBL3485495 0.70 KCNQ2 (0.47) CNR2KCNQ2CYP1A2CYP3A4
SCHEMBL15563527 0.69 KDM4E (0.50) POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
EP-2150112-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2010-02-10 EP disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 WO disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 WO 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 CNR2 66/4885POLB 4509/4885ADORA2A 353/4885

“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.