SCHEMBL17154229

SCHEMBL17154229

CC(C)Cc1ccccc1/C=C/CN

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TAAR1 Q96RJ0 5/20 0.33
HTR2A P28223 3/20 0.33
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
PTGER1 P34995 1/20 0.32
AOC3 Q16853 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL10556877 0.85 GABRA1 (0.50) GABRA1GABRB2TAAR1PTGER4PTGER3
SCHEMBL10556870 0.85 GABRA1 (0.50) GABRA1GABRB2TAAR1PTGER4PTGER3
SCHEMBL17160012 0.79 GABRA1 (0.45) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL31348024 0.79 GABRA1 (0.45) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL17155197 0.79 PTGER3 (0.37) GABRA1GABRB2TAAR1PTGER4PTGER3
SCHEMBL17154235 0.77 PNMT (0.33) GABRA1GABRB2HTR2ASLC6A2SLC6A4
SCHEMBL8120563 0.77 GABRA1 (0.50) GABRA1GABRB2TAAR1MAOASLC6A2
SCHEMBL6546293 0.76 NFE2L2 (0.46) GABRA1GABRB2HTR2APTGER4PTGER3
SCHEMBL6546294 0.76 NFE2L2 (0.46) GABRA1GABRB2HTR2APTGER4PTGER3
SCHEMBL16105670 0.76 NFE2L2 (0.46) GABRA1GABRB2HTR2APTGER4PTGER3

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-9388179-B2 N-substituted indazole sulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-07-12 US disclosed
US-20150284389-A1 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-10-08 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-20150284389-A1 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN1B, SCN1A, SCN2B GABRA1 297/4885GABRB2 279/4885TAAR1 1573/4885

“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.