SCHEMBL623275

SCHEMBL623275

CC(C)COc1cc(N2CCN(C(=O)c3cccc4[nH]ccc34)CC2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
CHRM2 P08172 2/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
CCR3 P51677 1/20 0.39
RECQL P46063 1/20 0.39
IDH1 O75874 1/20 0.39
MGLL Q99685 2/20 0.39
CCR5 P51681 1/20 0.39
GFER P55789 1/20 0.38
HCRTR2 O43614 1/20 0.38
LRRK2 Q5S007 3/20 0.38
KIT P10721 1/20 0.37
GOT1 P17174 1/20 0.37
PDGFRB P09619 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
SCHEMBL623187 0.87 TP53 (0.39) MAPK14CHRM2GAALRRK2GOT1
SCHEMBL624147 0.85 MAPK14 (0.48) MAPK14GAAMAPTCCR3RECQL
SCHEMBL622758 0.85 KDM4E (0.44) MAPTRECQLLRRK2PDGFRB
SCHEMBL623147 0.79 ALDH1A1 (0.52) GAAMAPTLRRK2
SCHEMBL624750 0.78 LMNA (0.47) GAAMAPT
SCHEMBL623230 0.78 NAAA (0.49)
SCHEMBL624097 0.78 LMNA (0.45) GAAMAPT
SCHEMBL622339 0.78 ALDH1A1 (0.36) GAAMAPTMGLL
SCHEMBL623267 0.76 KCNK3 (0.43)
SCHEMBL623239 0.76 ALDH1A1 (0.52) GAAMAPT

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 4477/4885CHRM2 3015/4885GAA 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.