SCHEMBL622758

SCHEMBL622758

CC(C)COc1cc(N2CCN(C(=O)COc3cccc4[nH]ccc34)CC2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RECQL P46063 1/20 0.44
LRRK2 Q5S007 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDGFRB P09619 1/20 0.40
HTR1A P08908 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL620825 0.86 KDM4E (0.44) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL623187 0.85 TP53 (0.39) KDM4EALDH1A1HSD17B10LRRK2NPSR1
SCHEMBL623275 0.85 MAPK14 (0.48) MAPTRECQLLRRK2PDGFRB
SCHEMBL624015 0.83 KDM4E (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL624510 0.83 MAPT (0.44) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL622523 0.82 KDM4E (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL623282 0.81 KDM4E (0.52) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL624158 0.80 ENPP2 (0.54) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL624464 0.80 KMT2A (0.54) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL624097 0.79 LMNA (0.45) KDM4EALDH1A1MAPTHSD17B10LMNA

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 KDM4E 1537/4885ALDH1A1 2071/4885TSHR 1643/4885

“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.