SCHEMBL8150587

SCHEMBL8150587

Cc1noc(C)c1Cn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.82
NR1I2 O75469 6/20 0.67
TAS2R8 Q9NYW2 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.38
DGAT2 Q96PD7 1/20 0.37
NR3C1 P04150 1/20 0.36

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
SCHEMBL8151071 0.90 CACNA1B (1.00) CACNA1BNR1I2TAS2R8
SCHEMBL8156765 0.87 CACNA1B (0.75) CACNA1BNR1I2TAS2R8
SCHEMBL8158186 0.84 CACNA1B (0.58) CACNA1BNR1I2TAS2R8PTGDR2DGAT2
SCHEMBL8144010 0.82 CACNA1B (0.57) CACNA1BNR1I2TAS2R8PTGDR2DGAT2
SCHEMBL8157382 0.82 CACNA1B (0.70) CACNA1BNR1I2TAS2R8
SCHEMBL8152439 0.81 NR1I2 (1.00) CACNA1BNR1I2
SCHEMBL8156762 0.81 NR1I2 (0.78) CACNA1BNR1I2
SCHEMBL8156757 0.80 NR1I2 (0.83) CACNA1BNR1I2
SCHEMBL8158178 0.79 NR1I2 (0.75) CACNA1BNR1I2
SCHEMBL8156333 0.79 NR1I2 (0.75) CACNA1BNR1I2

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 CACNA1B 13/4885NR1I2 1761/4885TAS2R8 1156/4885

“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.