SCHEMBL622993

SCHEMBL622993

CC(C)COc1cc(N2CCN(C(=O)COc3ccc(F)c4cccnc34)CC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 9/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LRRK2 Q5S007 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL623282 0.87 KDM4E (0.52) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL624015 0.84 KDM4E (0.52) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL623125 0.81 SMN1; SMN2 (0.43) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL622519 0.79 ALDH1A1 (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL624158 0.79 ENPP2 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL624464 0.79 KMT2A (0.54) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL624736 0.79 ENPP2 (0.53) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL622523 0.78 KDM4E (0.52) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL623269 0.78 MEN1 (0.46) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL622758 0.77 KDM4E (0.44) MEN1KMT2AKDM4ELMNAALDH1A1

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 MEN1 4301/4885KMT2A 1431/4885KDM4E 1537/4885

“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.