SCHEMBL624375

SCHEMBL624375

CC(C)COc1cc(N2CCN(C(=O)c3csc(C(F)(F)F)n3)CC2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
SCN9A Q15858 1/20 0.37
UGT8 Q16880 2/20 0.37
ACACB O00763 1/20 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
USP19 O94966 1/20 0.34

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
SCHEMBL623197 0.89 ACACB (0.39) SCN9AACACBHTTL3MBTL1MAPT
SCHEMBL622970 0.86 KMT2A (0.41) HRH3
SCHEMBL623711 0.82 PKM (0.41) SCN9AACACBITGB2ICAM1ITGAL
SCHEMBL623783 0.82 PTGDR2 (0.43)
SCHEMBL624207 0.81 KMT2A (0.47) HRH3L3MBTL1MAPT
SCHEMBL623300 0.81 ITGB2 (0.37) SCN9AACACBITGB2ICAM1ITGAL
SCHEMBL624371 0.81 KCNK3 (0.44) HRH3SCN9AACACBITGB2ICAM1
SCHEMBL623490 0.80 ALDH1A1 (0.39) HTTL3MBTL1
SCHEMBL624384 0.79 MEN1 (0.34) ACACB
SCHEMBL623188 0.79 KCNT1 (0.40) ACACBITGB2ICAM1ITGALMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US claimed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 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 (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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G HRH3 2457/4885SCN9A 87/4885UGT8 2600/4885

“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.