SCHEMBL12100211

SCHEMBL12100211

O=Cc1cccc2nc(N3CCC(Oc4ccc(Cl)cc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 1/20 0.39
MAPK14 Q16539 1/20 0.38
DCK P27707 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
GPR6 P46095 1/20 0.37
KCNH2 Q12809 1/20 0.36
CHRM4 P08173 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
RET P07949 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL12099791 0.83 HRH3 (0.41) SCN9AHRH3GPR6KCNH2
SCHEMBL12099396 0.82 SCN9A (0.38) SCN9AFPR2PROKR1ACACB
SCHEMBL12099976 0.80 HRH4 (0.46) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL12099998 0.79 HRH3 (0.43) KDM4ENPC1MAPTRAB9AHRH3
SCHEMBL12099739 0.75 EPHX2 (0.45) FPR2PROKR1KCNH2ACACB
SCHEMBL12099719 0.74 GPR6 (0.39) SCN9AMAPK14GPR6KCNH2CHRM4
SCHEMBL12099593 0.74 ALDH1A1 (0.45) KDM4EMAPTNPSR1SCN9AMAPK14
SCHEMBL12099567 0.74 HRH3 (0.47) HRH3KCNH2HRH4ACACB
SCHEMBL12099601 0.74 MAPK14 (0.48) KDM4ESCN9AMAPK14HRH3FPR2
SCHEMBL12100043 0.73 KCNH2 (0.40) SCN9AMAPK14HRH3FPR2PROKR1

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-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B KDM4E 1141/4885NPC1 1433/4885MAPT 4090/4885

“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.