SCHEMBL12475016

SCHEMBL12475016

CC(C)COc1cc(N2CCN(C(=O)C(NC(=O)O)c3ccccc3)CC2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRB2 P07550 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ACACB O00763 5/20 0.39
F10 P00742 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
P2RY12 Q9H244 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15025402 0.89 CTSS (0.41) KDM4EALDH1A1ADRB2LOXL2F10
SCHEMBL624235 0.86 RET (0.46) KDM4EALDH1A1ADRB2
SCHEMBL624236 0.86 RET (0.46) KDM4EALDH1A1ADRB2
SCHEMBL15025401 0.86 RET (0.46) KDM4EALDH1A1ADRB2
SCHEMBL623681 0.85 ROCK2 (0.45) KDM4EALDH1A1ADRB2LOXL2TSHR
SCHEMBL623675 0.85 ROCK2 (0.45) KDM4EALDH1A1ADRB2LOXL2TSHR
SCHEMBL623674 0.85 ROCK2 (0.45) KDM4EALDH1A1ADRB2LOXL2TSHR
SCHEMBL623903 0.81 ALDH1A1 (0.38) KDM4EALDH1A1ADRB2LOXL2TSHR
SCHEMBL623179 0.81 ALDH1A1 (0.38) KDM4EALDH1A1ADRB2LOXL2TSHR
SCHEMBL623178 0.81 ALDH1A1 (0.38) KDM4EALDH1A1ADRB2LOXL2TSHR

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 6 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-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 KDM4E 1537/4885ALDH1A1 2071/4885ADRB2 1014/4885

“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.