SCHEMBL623249

SCHEMBL623249

CC(C)COc1cc(N2CCN(C(=O)c3ncoc3-c3ccccc3F)CC2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HCRTR2 O43614 4/20 0.46
HCRTR1 O43613 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CHRM4 P08173 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
TACR3 P29371 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL623199 0.87 GAA (0.46) GAAHCRTR2HCRTR1KMT2AMEN1
SCHEMBL623690 0.76 POLB (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL623893 0.75 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL623173 0.75 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL623195 0.74 MGLL (0.41) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL622626 0.74 DRD2 (0.52) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL623147 0.74 ALDH1A1 (0.52) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL622699 0.74 MGLL (0.46) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL623189 0.74 PTK2 (0.51) GAAKMT2AMEN1POLB
SCHEMBL624275 0.74 KDM4E (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT

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 GAA 1067/4885HCRTR2 651/4885HCRTR1 1174/4885

“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.