SCHEMBL623282

SCHEMBL623282

CC(C)COc1cc(N2CCN(C(=O)COc3cccc4cccnc34)CC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 3/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
ACHE P22303 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL622993 0.87 MEN1 (0.45) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624015 0.87 KDM4E (0.52) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL623214 0.86 KDM4E (0.52) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL622523 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL623269 0.83 MEN1 (0.46) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624158 0.81 ENPP2 (0.54) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624464 0.81 KMT2A (0.54) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL623221 0.81 SCN7A (0.49) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL622758 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624510 0.81 MAPT (0.44) KDM4EALDH1A1MAPTHSD17B10TSHR

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 2071/4885MAPT 3432/4885

“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.