SCHEMBL623463

SCHEMBL623463

CC(C)COc1cc(N2CCN(C(=O)CS(=O)(=O)c3ccccc3)CC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ADRB2 P07550 2/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL622950 0.90 MAPT (0.49) SMN1; SMN2MAPTTP53HSD17B10ALDH1A1
SCHEMBL623989 0.90 MAPT (0.46) SMN1; SMN2MAPTTP53HSD17B10ADRB2
SCHEMBL624738 0.90 MAPT (0.40) POLBSMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL623124 0.89 MAPT (0.44) POLBSMN1; SMN2MAPTTP53HSD17B10
SCHEMBL15006772 0.87 LOXL2 (0.38) SMN1; SMN2HSD17B10KDM4EADRB2ALDH1A1
SCHEMBL624178 0.87 NPC1 (0.48) POLBSMN1; SMN2MAPTTP53HSD17B10
SCHEMBL624464 0.83 KMT2A (0.54) POLBSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL624553 0.83 LOXL2 (0.38) SMN1; SMN2HSD17B10KDM4EADRB2ALDH1A1
SCHEMBL624361 0.81 ALDH1A1 (0.57) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL622716 0.81 NPC1 (0.53) POLBSMN1; SMN2MAPTHSD17B10KDM4E

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 POLB 3044/4885SMN1; SMN2 598/4885MAPT 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.