SCHEMBL8152158

SCHEMBL8152158

Cc1noc(C)c1Cc1c(-c2ccc(OC(F)(F)F)cc2)n(Cc2c(C)noc2C)c2ccc(C(C)(C)C(=O)NC(C)(C)C)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.54
TAS2R8 Q9NYW2 4/20 0.39
ALDH1A1 P00352 1/20 0.36
NR1I2 O75469 3/20 0.36
MEN1 O00255 1/20 0.36
GALK1 P51570 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SERPINE1 P05121 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PARG Q86W56 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
SCHEMBL8144010 0.87 CACNA1B (0.57) CACNA1BTAS2R8ALDH1A1NR1I2PTGDR2
SCHEMBL8150541 0.86 CACNA1B (0.69) CACNA1BTAS2R8ALDH1A1NR1I2PTGDR2
SCHEMBL8156765 0.83 CACNA1B (0.75) CACNA1BTAS2R8ALDH1A1NR1I2MEN1
SCHEMBL8158186 0.79 CACNA1B (0.58) CACNA1BTAS2R8ALDH1A1NR1I2PTGDR2
SCHEMBL13401204 0.79 SERPINE1 (0.41) CACNA1BNR1I2ESR1PTGDR2SERPINE1
SCHEMBL8153127 0.77 CACNA1B (0.64) CACNA1BTAS2R8ALDH1A1NR1I2PARG
SCHEMBL8157382 0.73 CACNA1B (0.70) CACNA1BTAS2R8ALDH1A1NR1I2
SCHEMBL8150587 0.72 CACNA1B (0.82) CACNA1BTAS2R8NR1I2PTGDR2
SCHEMBL3485598 0.72 NR1I2 (0.49) CACNA1BALDH1A1NR1I2SERPINE1
SCHEMBL3486330 0.71 NR1I2 (0.48) CACNA1BNR1I2SERPINE1

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 13/4885TAS2R8 1156/4885ALDH1A1 541/4885

“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.