SCHEMBL8156752

SCHEMBL8156752

CC(C)(C)NC(=O)C(C)(C)c1ccc2c(c1)cc(-c1ccccc1OC(F)(F)F)n2CCO

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.65
CACNA1B Q00975 7/20 0.55
CNR2 P34972 1/20 0.36
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MDM2 Q00987 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL8144788 0.89 NR1I2 (0.70) NR1I2CACNA1BMDM2
SCHEMBL8153121 0.89 NR1I2 (0.81) NR1I2CACNA1B
SCHEMBL8157418 0.88 NR1I2 (0.69) NR1I2CACNA1BSCN9A
SCHEMBL8144764 0.88 NR1I2 (0.71) NR1I2CACNA1BMDM2
SCHEMBL8157423 0.88 NR1I2 (0.59) NR1I2CACNA1BSCN9ASCN10A
SCHEMBL8143944 0.88 NR1I2 (0.63) NR1I2CACNA1BMDM2
SCHEMBL8153111 0.85 NR1I2 (0.59) NR1I2CACNA1BSCN9ASCN5AMDM2
SCHEMBL8157382 0.83 CACNA1B (0.70) NR1I2CACNA1BMDM2
SCHEMBL8153102 0.81 NR1I2 (0.67) NR1I2CACNA1BCNR2SCN9A
SCHEMBL8157420 0.81 NR1I2 (0.59) NR1I2CACNA1BMDM2

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 3 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
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 NR1I2 1761/4885CACNA1B 13/4885CNR2 66/4885

“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.