SCHEMBL624736

SCHEMBL624736

CC(C)COc1cc(N2CCN(C(=O)COc3cccc(F)c3)CC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.53
ALDH1A1 P00352 6/20 0.48
IDE P14735 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46
CHRM4 P08173 1/20 0.45
GAA P10253 3/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MC4R P32245 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 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
SCHEMBL624243 0.90 GAA (0.57) ALDH1A1IDESMN1; SMN2KMT2AGAA
SCHEMBL622519 0.89 ALDH1A1 (0.51) ENPP2ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL624464 0.89 KMT2A (0.54) ENPP2ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL623279 0.88 SMN1; SMN2 (0.48) ENPP2ALDH1A1IDESMN1; SMN2GAA
SCHEMBL623125 0.88 SMN1; SMN2 (0.43) ALDH1A1IDESMN1; SMN2KMT2ATSHR
SCHEMBL624370 0.86 ENPP2 (0.54) ENPP2ALDH1A1IDESMN1; SMN2KMT2A
SCHEMBL624738 0.83 MAPT (0.40) ALDH1A1SMN1; SMN2CHRM4TSHRMAPT
SCHEMBL624197 0.82 GHSR (0.42) ALDH1A1SMN1; SMN2KMT2ACHRM4KDM4E
SCHEMBL623269 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2KMT2AGAATSHR
SCHEMBL624150 0.81 GRM5 (0.51) ALDH1A1

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 ENPP2 291/4885ALDH1A1 2071/4885IDE 4128/4885

“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.