SCHEMBL19686222

SCHEMBL19686222

CNC(COc1cccc(C)c1C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.56
HTR1B P28222 1/20 0.50
SCN4A P35499 4/20 0.49
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 3/20 0.41
CHRM1 P11229 2/20 0.41
TSHR P16473 2/20 0.41
ADRA2B P18089 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HRH1 P35367 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL19686185 0.85 SCN4A (0.47) HTR1DHTR1BSCN4ACYP1A2KMT2A
SCHEMBL19668460 0.83 HTR1B (0.46) HTR1DHTR1BSCN4ACYP1A2CYP3A4
SCHEMBL21315610 0.82 SCN4A (0.43) HTR1DHTR1BSCN4ACYP1A2KMT2A
SCHEMBL19668711 0.81 SCN8A (0.44) HTR1DHTR1BSCN4AALDH1A1MAPT
SCHEMBL19668715 0.81 HTR1B (0.47) HTR1DHTR1BSCN4ACYP1A2CYP3A4
SCHEMBL19668641 0.78 SCN4A (0.79) HTR1BSCN4AALOX15MAPTL3MBTL1
SCHEMBL19668704 0.78 SCN4A (0.51) HTR1BSCN4ACYP1A2KMT2ALMNA
SCHEMBL7700605 0.78 HTR1B (0.56) HTR1DHTR1BKMT2ALMNAALDH1A1
Methyl Alcohol SCHEMBL28310472 0.74 SCN4A (0.47) HTR1BSCN4ACYP1A2KMT2ALMNA
SCHEMBL19121724 0.73 HTR1B (0.53) HTR1BSCN4ACYP1A2CYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492325-B2 Compounds as inhibitors of sodium channels HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2022-11-08 US disclosed
US-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2019-09-05 US disclosed
US-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2019-09-05 US disclosed
WO-2017210371-A2 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-12-07 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 (2 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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS SCN1B, CACNA1E, SCN2B HTR1D 347/4885HTR1B 478/4885SCN4A 48/4885
US-11492325-B2 Compounds as inhibitors of sodium channels SCN1B, CACNA1E, SCN2B HTR1D 347/4885HTR1B 478/4885SCN4A 48/4885

“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.