SCHEMBL623296

SCHEMBL623296

CC(C)COc1cc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3N)CC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 8/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
RIPK2 O43353 1/20 0.41
MAPK14 Q16539 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 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
SCHEMBL623902 0.90 ALDH1A1 (0.47) MAPTCYP1A2CYP2C19RECQLALDH1A1
SCHEMBL624051 0.82 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL623901 0.81 MAPT (0.45) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL624228 0.80 HTR2A (0.49) ALDH1A1RAB9ANPC1KMT2A
SCHEMBL622742 0.80 CFTR (0.41) MAPTALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL624631 0.80 TP53 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL624261 0.77 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL624276 0.77 GLA (0.42) ALDH1A1RAB9ANPC1KDM4EKMT2A
SCHEMBL624275 0.77 KDM4E (0.40) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL624464 0.77 KMT2A (0.54) MAPTALDH1A1KDM4ESMN1; SMN2LMNA

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 MAPT 3432/4885CYP1A2 3527/4885CYP2C19 4608/4885

“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.