SCHEMBL623266

SCHEMBL623266

O=C(CCN1Cc2ccccc2C1=O)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.46
KDM4E B2RXH2 4/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DRD2 P14416 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 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
SCHEMBL623227 0.91 HSD17B10 (0.45) HSD17B10L3MBTL1DRD2DRD5DRD3
SCHEMBL624479 0.86 HSD17B10 (0.46) HSD17B10KDM4EALOX15TSHRSIRT1
SCHEMBL623073 0.85 HSD17B10 (0.44) HSD17B10L3MBTL1DRD3KMT2ACHRM2
SCHEMBL622297 0.77 HSD17B10 (0.45) HSD17B10TSHRL3MBTL1KMT2ACHRM2
SCHEMBL624184 0.75 CXCR3 (0.47) HSD17B10DRD2DRD3CHRM2CHRM4
SCHEMBL624183 0.74 ACACB (0.41) HSD17B10KDM4ECHRM2CHRM4CHRM5
SCHEMBL622335 0.73 MAPT (0.47) HSD17B10KDM4ETSHRPOLBKMT2A
SCHEMBL623910 0.72 LMNA (0.42) HSD17B10KDM4ETSHRCYP1A2CYP2C19
SCHEMBL623662 0.71 SMN1; SMN2 (0.63) HSD17B10KDM4ETSHRL3MBTL1POLB
SCHEMBL622224 0.71 HSD17B10 (0.44) HSD17B10TSHRL3MBTL1DRD3KMT2A

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 2375/4885KDM4E 1537/4885ALOX15 2323/4885

“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.