SCHEMBL624147

SCHEMBL624147

O=C(c1cccc2[nH]ccc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
PARP1 P09874 1/20 0.41
IDH1 O75874 1/20 0.41
SYK P43405 1/20 0.41
GOT1 P17174 3/20 0.41
ACACB O00763 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HCRTR2 O43614 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
CCR3 P51677 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.39
MGLL Q99685 1/20 0.39
CCR5 P51681 1/20 0.39
GFER P55789 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL623275 0.85 MAPK14 (0.48) MAPK14IDH1GOT1GAAMAPT
SCHEMBL620825 0.85 KDM4E (0.44) GOT1ACACBGAAMAPTKDM4E
SCHEMBL623910 0.79 LMNA (0.42) PARP1ACACBHCRTR2KDM4ESMN1; SMN2
SCHEMBL624545 0.79 RBP4 (0.49) GAAMAPTLMNAHTT
SCHEMBL623894 0.74 RBP4 (0.51) ACACB
SCHEMBL623187 0.74 TP53 (0.39) MAPK14GOT1GAAKDM4ESMN1; SMN2
SCHEMBL624261 0.73 ALDH1A1 (0.46) GAAMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL623245 0.73 TSHR (0.53) GAAKDM4ESMN1; SMN2RAB9A
SCHEMBL623899 0.73 PTK2 (0.51) ACACBKDM4ESMN1; SMN2LMNACCR3
SCHEMBL624639 0.73 DRD2 (0.51) ACACBGAAMAPTKDM4ESMN1; SMN2

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 MAPK14 4477/4885PARP1 3268/4885IDH1 1834/4885

“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.