SCHEMBL17154228

SCHEMBL17154228

CC(C)Cc1ccccc1-c1cccc2c1CCNC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.45
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PRCP P42785 1/20 0.42
PNMT P11086 2/20 0.41
MAOB P27338 1/20 0.41
CD274 Q9NZQ7 2/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL19326980 0.87 CD44 (0.51) CD44HTR2CHTR2BPRCPPNMT
SCHEMBL17154240 0.85 S1PR1 (0.41) CD44HTR2CHTR2BPRCPPNMT
SCHEMBL15700254 0.84 CD44 (0.49) CD44HTR2CHTR2BPRCPPNMT
SCHEMBL16154961 0.78 CD44 (0.49) CD44PRCPPNMTMAOBCD274
SCHEMBL16154968 0.78 PNMT (0.51) CD44HTR2CHTR2BPRCPPNMT
SCHEMBL10163723 0.77 GABRA1 (0.39) S1PR1S1PR3GABRA1GABRB2
SCHEMBL14904835 0.76 CD274 (0.56) CD44HTR2CPRCPPNMTMAOB
SCHEMBL17069301 0.76 GABRA1 (0.46) CD44HTR2CHTR2BPNMTS1PR1
SCHEMBL17154233 0.75 PRCP (0.46) HTR2CHTR2BPRCPPNMTS1PR1
SCHEMBL197723 0.73 GABRA1 (0.56) GABRA1GABRB2

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 CD44 3081/4885HTR2C 436/4885HTR2B 402/4885

“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.