SCHEMBL622335

SCHEMBL622335

O=C(CCOc1ccc(F)cc1)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
ELOVL1 Q9BW60 5/20 0.47
GAA P10253 2/20 0.44
ACACB O00763 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM4 P08173 1/20 0.41
ME2 P23368 2/20 0.41
ME1 P48163 2/20 0.41
ME3 Q16798 2/20 0.41
HPGD P15428 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL624103 0.90 ENPP2 (0.50) MAPTELOVL1ACACBSMN1; SMN2ALDH1A1
SCHEMBL624188 0.85 MAPT (0.46) MAPTPOLBELOVL1GAASMN1; SMN2
SCHEMBL624638 0.83 MAPT (0.45) MAPTPOLBELOVL1GAAACACB
SCHEMBL624370 0.80 ENPP2 (0.54) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL624114 0.75 TSHR (0.43) ACACBTSHRKMT2ALMNA
SCHEMBL622519 0.75 ALDH1A1 (0.51) MAPTELOVL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL624183 0.75 ACACB (0.41) MAPTACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL622716 0.75 NPC1 (0.53) MAPTPOLBGAASMN1; SMN2KDM4E
SCHEMBL3089410 0.75 MAPT (0.66) MAPTPOLBGAASMN1; SMN2KDM4E
SCHEMBL624165 0.74 MEN1 (0.46) MAPTGAAACACBSMN1; SMN2KDM4E

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 3432/4885POLB 3044/4885ELOVL1 1241/4885

“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.