SCHEMBL623902

SCHEMBL623902

Cc1c(C(=O)N2CCN(c3cc(OCC(C)C)ncn3)CC2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
SPR P35270 4/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.42
EIF4A3 P38919 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL624051 0.91 MAPT (0.44) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL623901 0.91 MAPT (0.45) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL623296 0.90 MAPT (0.45) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL624261 0.87 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL624631 0.84 TP53 (0.45) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL624228 0.83 HTR2A (0.49) ALDH1A1RAB9ATSHRKMT2A
SCHEMBL622742 0.81 CFTR (0.41) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL624275 0.79 KDM4E (0.40) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL624276 0.78 GLA (0.42) ALDH1A1NPSR1KDM4ERAB9AMEN1
SCHEMBL624464 0.77 KMT2A (0.54) ALDH1A1MAPTNPSR1HTTSMN1; 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 ALDH1A1 2071/4885MAPT 3432/4885NPSR1 554/4885

“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.