SCHEMBL17154239

SCHEMBL17154239

CC(C)Cc1ccccc1C1=CCNCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
EHMT2 Q96KQ7 3/20 0.34
EHMT1 Q9H9B1 3/20 0.34
KHK P50053 1/20 0.34
HTR6 P50406 2/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL17155169 0.84 HTR2C (0.45) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL17154232 0.81 HTR2C (0.42) HTR2CSIGMAR1MAPTEHMT2EHMT1
SCHEMBL16154955 0.78 HTR2C (0.45) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL14904919 0.75 HTR2C (0.49) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL20841540 0.73 RGS12 (0.31)
SCHEMBL17154231 0.72 HTR2C (0.51) HTR2CSIGMAR1MAPTHTR6HTR2A
SCHEMBL14704897 0.72 HTR2C (0.49) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL6278677 0.72 HTR2C (0.53) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL14704895 0.72 CCNT1 (0.49) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6795900 0.71 HTR2C (0.78) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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 HTR2C 436/4885SIGMAR1 1771/4885KDM4E 2151/4885

“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.