SCHEMBL623245

SCHEMBL623245

O=C(c1ccc2ccccc2n1)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SCN9A Q15858 10/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
CCKAR P32238 1/20 0.45
GRIN2B Q13224 1/20 0.45
SCN7A Q01118 2/20 0.44
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43

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
SCHEMBL623899 0.89 PTK2 (0.51) SCN9ASMN1; SMN2ALDH1A1RAB9ACCKAR
SCHEMBL624181 0.86 CCKAR (0.43) SCN9AGAAALDH1A1RAB9ACCKAR
SCHEMBL624496 0.85 TSHR (0.53) TSHRSCN9AGAASMN1; SMN2ALDH1A1
SCHEMBL623698 0.84 P2RY12 (0.45) TSHRALDH1A1MAPK1RAB9ACCKAR
SCHEMBL623169 0.81 TSHR (0.53) TSHRSCN9AGAASMN1; SMN2ALDH1A1
SCHEMBL624371 0.80 KCNK3 (0.44) SCN9ASMN1; SMN2MAPK1RAB9ACCKAR
SCHEMBL624123 0.80 PTGDR2 (0.43) SCN9AALDH1A1RAB9ACCKAR
SCHEMBL623694 0.79 RAB9A (0.42) TSHRGAASMN1; SMN2ALDH1A1MAPK1
SCHEMBL623197 0.78 ACACB (0.39) SCN9AALDH1A1RAB9ACCKARMEN1
SCHEMBL624183 0.78 ACACB (0.41) SMN1; SMN2ALDH1A1RAB9AKDM4E

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 TSHR 1643/4885SCN9A 87/4885GAA 1067/4885

“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.