SCHEMBL624243

SCHEMBL624243

COc1cccc(OCC(=O)N2CCN(c3cc(OCC(C)C)ncn3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MAPK1 P28482 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
IDE P14735 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
LDHA P00338 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL624464 0.90 KMT2A (0.54) GAAMAPK1MEN1KMT2AMAPT
SCHEMBL624736 0.90 ENPP2 (0.53) GAAMAPK1MEN1KMT2AMAPT
SCHEMBL623279 0.89 SMN1; SMN2 (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL623125 0.85 SMN1; SMN2 (0.43) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL623124 0.84 MAPT (0.44) GAAMAPK1KMT2AMAPTALDH1A1
SCHEMBL622519 0.84 ALDH1A1 (0.51) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL624197 0.83 GHSR (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL623269 0.83 MEN1 (0.46) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL624233 0.81 MAPT (0.45) GAAMAPK1MEN1KMT2AMAPT
SCHEMBL622716 0.80 NPC1 (0.53) GAAMAPK1MEN1KMT2AMAPT

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 GAA 1067/4885MAPK1 4261/4885MEN1 4301/4885

“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.