SCHEMBL623298

SCHEMBL623298

Cn1nc(C(=O)N2CCN(c3cc(OCC(F)(F)F)ncn3)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ACACB O00763 1/20 0.41
CFTR P13569 1/20 0.40
CCKAR P32238 1/20 0.37
RAB9A P51151 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL623711 0.89 PKM (0.41) PKMACACBCFTRHRH4NAMPT
SCHEMBL623262 0.88 ACACB (0.40) ACACBCCKARRAB9AHRH4KDM4E
SCHEMBL623197 0.80 ACACB (0.39) ACACBCCKARRAB9AHRH4ALDH1A1
SCHEMBL623305 0.79 GPR119 (0.50) ACACBHPGDSMN1; SMN2
SCHEMBL623694 0.78 RAB9A (0.42) ACACBCCKARRAB9AHRH4KDM4E
SCHEMBL624639 0.78 DRD2 (0.51) ACACBCCKARRAB9AHRH4KDM4E
SCHEMBL623300 0.78 ITGB2 (0.37) ACACBHRH4KDM4EALDH1A1HSD17B10
SCHEMBL624216 0.77 RAB9A (0.42) ACACBCCKARRAB9AHRH4KDM4E
SCHEMBL624703 0.77 HTR2A (0.41) ACACBRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL623899 0.77 PTK2 (0.51) ACACBCCKARRAB9AKDM4EALDH1A1

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 4137/4885ACACB 544/4885CFTR 328/4885

“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.