SCHEMBL624233

SCHEMBL624233

Cc1cccc(OCCC(=O)N2CCN(c3cc(OCC(C)C)ncn3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
SMO Q99835 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
SCHEMBL622716 0.91 NPC1 (0.53) MAPTGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL624188 0.85 MAPT (0.46) MAPTGAAALDH1A1LMNAMAPK1
SCHEMBL624243 0.81 GAA (0.57) MAPTGAAALDH1A1LMNAMAPK1
SCHEMBL624464 0.81 KMT2A (0.54) MAPTGAAALDH1A1LMNAMAPK1
SCHEMBL624736 0.80 ENPP2 (0.53) MAPTGAAALDH1A1LMNAMAPK1
SCHEMBL623279 0.78 SMN1; SMN2 (0.48) MAPTGAAALDH1A1LMNAMAPK1
SCHEMBL624044 0.78 CKS1B (0.41) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL624304 0.77 LRRK2 (0.39) KMT2AMEN1
SCHEMBL12473598 0.76 LRRK2 (0.38) ALDH1A1KMT2AKDM4E
SCHEMBL622875 0.76 HSD17B10 (0.53) ALDH1A1LMNAKMT2AKDM4ETSHR

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 3432/4885GAA 1067/4885ALDH1A1 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.