SCHEMBL624181

SCHEMBL624181

O=C(c1ccc2cccc(O)c2n1)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SCN9A Q15858 9/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PIM1 P11309 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SCN7A Q01118 2/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL623245 0.86 TSHR (0.53) CCKARALDH1A1GAASCN9AKMT2A
SCHEMBL622785 0.85 GAA (0.41) CCKARALDH1A1GAASCN9APIM1
SCHEMBL623784 0.82 PDE4D (0.43) ALDH1A1GAAKCNK3KCNK9PIM1
SCHEMBL624371 0.80 KCNK3 (0.44) CCKARSCN9AKCNK3KCNK9HTT
SCHEMBL623899 0.79 PTK2 (0.51) CCKARALDH1A1SCN9AKCNK3KCNK9
SCHEMBL623197 0.76 ACACB (0.39) CCKARALDH1A1SCN9AKCNK3KCNK9
SCHEMBL624123 0.76 PTGDR2 (0.43) CCKARALDH1A1SCN9AKCNK3KCNK9
SCHEMBL623214 0.76 KDM4E (0.52) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL623698 0.75 P2RY12 (0.45) CCKARALDH1A1KMT2AMEN1LMNA
SCHEMBL623298 0.74 PKM (0.43) CCKARALDH1A1GAAKMT2AHTT

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 CCKAR 2030/4885ALDH1A1 2071/4885GAA 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.