SCHEMBL622950

SCHEMBL622950

CC(C)COc1cc(N2CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)CC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
ELOVL1 Q9BW60 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 1/20 0.41
EIF4H Q15056 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL623989 0.91 MAPT (0.46) MAPTTP53LMNAALDH1A1HSD17B10
SCHEMBL623463 0.90 POLB (0.47) MAPTTP53LMNAALDH1A1HSD17B10
SCHEMBL624738 0.90 MAPT (0.40) MAPTTP53LMNAELOVL1ALDH1A1
SCHEMBL623234 0.84 ELOVL1 (0.51) MAPTELOVL1HSD17B10SMN1; SMN2
SCHEMBL623124 0.84 MAPT (0.44) MAPTTP53LMNAALDH1A1HSD17B10
SCHEMBL622519 0.83 ALDH1A1 (0.51) MAPTLMNAELOVL1ALDH1A1HSD17B10
SCHEMBL623690 0.82 POLB (0.51) MAPTLMNAELOVL1ALDH1A1HSD17B10
SCHEMBL624188 0.82 MAPT (0.46) MAPTLMNAELOVL1ALDH1A1HSD17B10
SCHEMBL624150 0.81 GRM5 (0.51) ELOVL1ALDH1A1
SCHEMBL624486 0.80 THRA (0.45) MAPTLMNAELOVL1ALDH1A1RAB9A

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 3432/4885TP53 4837/4885LMNA 2282/4885

“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.