SCHEMBL623587

SCHEMBL623587

O=C(c1ccc(F)cc1)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 3/20 0.47
SLC6A7 Q99884 1/20 0.46
ACACB O00763 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
ELOVL1 Q9BW60 3/20 0.45
ADRB2 P07550 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM4 P08173 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAPK7 Q13164 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL623985 0.87 ACACB (0.44) KDM4EACACBALDH1A1LMNAMAPT
SCHEMBL623154 0.85 HSD11B1 (0.42) KDM4EACACBALDH1A1LMNAMAPT
SCHEMBL624156 0.84 ENPP2 (0.48) ACACBALDH1A1SMN1; SMN2RAB9AELOVL1
SCHEMBL624638 0.82 MAPT (0.45) KDM4EACACBALDH1A1SMN1; SMN2RAB9A
SCHEMBL622195 0.82 RBP4 (0.49) ACACBCHRM4
SCHEMBL624227 0.82 PTGS2 (0.43) ACACBELOVL1LMNACHRM4
SCHEMBL623232 0.81 ACACB (0.51) KDM4EACACBALDH1A1ELOVL1LMNA
SCHEMBL623231 0.81 ACACB (0.51) KDM4EACACBALDH1A1ELOVL1LMNA
SCHEMBL624190 0.80 ACACB (0.41) ACACBELOVL1CHRM4HRH3
SCHEMBL623690 0.79 POLB (0.51) L3MBTL1KDM4ESLC6A7ALDH1A1SMN1; 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 L3MBTL1 2801/4885KDM4E 1537/4885SLC6A7 128/4885

“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.