SCHEMBL623989

SCHEMBL623989

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ADRB2 P07550 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 3/20 0.41
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
STAT3 P40763 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.37

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 0.91 MAPT (0.49) MAPTLMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL623463 0.90 POLB (0.47) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL624738 0.84 MAPT (0.40) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL623124 0.84 MAPT (0.44) MAPTLMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL624044 0.81 CKS1B (0.41) ALDH1A1HTTSMN1; SMN2
SCHEMBL624178 0.79 NPC1 (0.48) MAPTLMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15006772 0.79 LOXL2 (0.38) ALDH1A1SMN1; SMN2ADRB2HSD17B10MEN1
Hydrochloric Acid SCHEMBL624304 0.78 LRRK2 (0.39) MEN1KMT2A
SCHEMBL622237 0.77 HSD17B10 (0.44) MAPTLMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL622520 0.76 ENPP2 (0.41) MAPTALDH1A1SMN1; SMN2

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 3432/4885LMNA 2282/4885ALDH1A1 2071/4885

“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.