SCHEMBL624198

SCHEMBL624198

CC(C)COc1cc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HTT P42858 1/20 0.56
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CDYL Q9Y232 5/20 0.49
▸ CDY1; CDY1B Q9Y6F8 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CBX7 O95931 4/20 0.48
▸ CDYL2 Q8N8U2 4/20 0.48
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL624215 0.79 LMNA (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL624361 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL624464 0.77 KMT2A (0.54) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL623992 0.76 LMNA (0.52) KDM4ENPC1POLBLMNAMAPT
SCHEMBL622297 0.76 HSD17B10 (0.45) HSD17B10HTTMEN1KMT2ATSHR
SCHEMBL622878 0.76 MEN1 (0.55) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL624044 0.76 CKS1B (0.41) ALDH1A1HTTPOLB
SCHEMBL622748 0.75 CXCR3 (0.47) KDM4EHSD17B10POLBLMNAMAPT
SCHEMBL623295 0.75 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL622224 0.75 HSD17B10 (0.44) HSD17B10HTTMEN1KMT2ATSHR

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 10 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
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 ALDH1A1 2071/4885KDM4E 1537/4885HPGD 967/4885

“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.

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