SCHEMBL8153111

SCHEMBL8153111

CC(C)(C)NC(=O)C(C)(C)c1ccc2c(c1)cc(-c1ccccc1OC(F)(F)F)n2Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.59
CACNA1B Q00975 5/20 0.47
NTRK1 P04629 1/20 0.38
GNRHR P30968 1/20 0.37
MDM2 Q00987 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PLA2G2A P14555 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
SCHEMBL8144788 0.85 NR1I2 (0.70) NR1I2CACNA1BMDM2
SCHEMBL8156752 0.85 NR1I2 (0.65) NR1I2CACNA1BMDM2SCN5ASCN9A
SCHEMBL8144764 0.84 NR1I2 (0.71) NR1I2CACNA1BMDM2
SCHEMBL8157418 0.84 NR1I2 (0.69) NR1I2CACNA1BSCN9A
SCHEMBL8151847 0.84 NR1I2 (0.51) NR1I2CACNA1BNTRK1
SCHEMBL8157382 0.83 CACNA1B (0.70) NR1I2CACNA1BMDM2
SCHEMBL8143944 0.83 NR1I2 (0.63) NR1I2CACNA1BMDM2
SCHEMBL8157423 0.81 NR1I2 (0.59) NR1I2CACNA1BSCN9A
SCHEMBL8157420 0.77 NR1I2 (0.59) NR1I2CACNA1BMDM2
SCHEMBL8158914 0.77 NR1I2 (0.69) NR1I2CACNA1BSCN9A

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 13/4885NTRK1 722/4885

“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.