SCHEMBL13401201

SCHEMBL13401201

CC(C)(C)NC(=O)C(C)(C)c1ccc2c(c1)cc(-c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.51
PTGS2 P35354 5/20 0.49
CACNA1B Q00975 4/20 0.49
GCGR P47871 4/20 0.47

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
SCHEMBL3485683 0.83 NR1I2 (0.74) NR1I2CACNA1B
SCHEMBL13401204 0.83 SERPINE1 (0.41) NR1I2PTGS2CACNA1BGCGR
SCHEMBL8152069 0.82 CACNA1B (0.59) NR1I2CACNA1B
SCHEMBL8156765 0.80 CACNA1B (0.75) NR1I2CACNA1B
SCHEMBL8151113 0.75 NR1I2 (0.61) NR1I2CACNA1B
SCHEMBL8150104 0.74 NR1I2 (0.73) NR1I2CACNA1B
SCHEMBL8150555 0.74 CACNA1B (0.72) NR1I2PTGS2CACNA1B
SCHEMBL3486182 0.74 NR1I2 (0.52) NR1I2CACNA1B
SCHEMBL8158444 0.73 NR1I2 (0.49) NR1I2CACNA1B
SCHEMBL3485492 0.72 NR1I2 (0.55) NR1I2CACNA1B

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-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

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 NR1I2 1761/4885PTGS2 350/4885CACNA1B 13/4885

“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.