SCHEMBL623227

SCHEMBL623227

O=C(CN1Cc2ccccc2C1=O)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
PREP P48147 2/20 0.39
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CHRM4 P08173 6/20 0.39
CHRM2 P08172 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD2 P14416 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL623073 0.92 HSD17B10 (0.44) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL623266 0.91 HSD17B10 (0.46) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL622297 0.86 HSD17B10 (0.45) HSD17B10PREPDPP4FAPDPP8
SCHEMBL624183 0.81 ACACB (0.41) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL624184 0.80 CXCR3 (0.47) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL622224 0.78 HSD17B10 (0.44) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL624479 0.77 HSD17B10 (0.46) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL622196 0.76 CYP3A4 (0.54) HSD17B10SMN1; SMN2MEN1GAAKMT2A
SCHEMBL622696 0.76 HSD17B10 (0.43) HSD17B10CHRM4CHRM2CHRM5CHRM1
SCHEMBL623910 0.73 LMNA (0.42) HSD17B10SMN1; SMN2ACACBCYP1A2CYP2C19

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 HSD17B10 2375/4885PREP 601/4885DPP4 718/4885

“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.