SCHEMBL623711

SCHEMBL623711

CC(C)COc1cc(N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
CFTR P13569 1/20 0.40
ACACB O00763 1/20 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
SCN9A Q15858 1/20 0.36
NAMPT P43490 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 4/20 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
SCHEMBL623298 0.89 PKM (0.43) PKMCFTRACACBNAMPTHRH4
SCHEMBL623300 0.89 ITGB2 (0.37) ACACBITGB2ICAM1ITGALSCN9A
SCHEMBL624384 0.85 MEN1 (0.34) ACACBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL623188 0.83 KCNT1 (0.40) ACACBITGB2ICAM1ITGALHRH4
SCHEMBL623770 0.83 PSMB8 (0.38) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL624375 0.82 HRH3 (0.37) ACACBITGB2ICAM1ITGALSCN9A
SCHEMBL624199 0.81 CYP1A2 (0.48) CFTRHRH4KDM4EALDH1A1HPGD
SCHEMBL624371 0.80 KCNK3 (0.44) ACACBITGB2ICAM1ITGALSCN9A
SCHEMBL623262 0.78 ACACB (0.40) ACACBITGB2ICAM1ITGALSCN9A
SCHEMBL624504 0.78 CYP2C19 (0.45) CFTRSCN9AHPGDCYP1A2CYP2C9

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 9 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
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 PKM 4137/4885CFTR 328/4885ACACB 544/4885

“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.