SCHEMBL623269

SCHEMBL623269

CC(C)COc1cc(N2CCN(C(=O)COc3ccc4cccnc4c3)CC2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 3/20 0.44
HTR1D P28221 3/20 0.44
HTR1B P28222 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
SCN7A Q01118 2/20 0.44
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL623221 0.85 SCN7A (0.49) MEN1KMT2AMAPTLMNAGAA
SCHEMBL624464 0.84 KMT2A (0.54) MEN1KMT2AMAPTLMNAGAA
SCHEMBL623282 0.83 KDM4E (0.52) MEN1KMT2AMAPTLMNANPC1
SCHEMBL624243 0.83 GAA (0.57) MEN1KMT2AHTR1AHTR1DMAPT
SCHEMBL623125 0.83 SMN1; SMN2 (0.43) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL624197 0.83 GHSR (0.42) MEN1KMT2AMAPTLMNAPPARG
SCHEMBL624015 0.82 KDM4E (0.52) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL622519 0.82 ALDH1A1 (0.51) MEN1KMT2AMAPTLMNAMC4R
SCHEMBL624736 0.82 ENPP2 (0.53) MEN1KMT2AMAPTLMNAGAA
SCHEMBL623279 0.80 SMN1; SMN2 (0.48) MAPTLMNAGAAKDM4EMC4R

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 1431/4885HTR1A 2525/4885

“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.