SCHEMBL622878

SCHEMBL622878

CC(C)COc1cc(N2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CXCR3 P49682 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ ALOX12 P18054 1/20 0.44

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
SCHEMBL622748 0.86 CXCR3 (0.47) KDM4ECXCR3LMNAPOLBTP53
SCHEMBL624215 0.77 LMNA (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL622297 0.77 HSD17B10 (0.45) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL622224 0.76 HSD17B10 (0.44) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL623295 0.76 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL624198 0.76 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL624361 0.76 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL624464 0.75 KMT2A (0.54) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL624044 0.74 CKS1B (0.41) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL622712 0.74 HPGD (0.49) KMT2AALDH1A1GAASMN1; SMN2POLB

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 MEN1 4301/4885KMT2A 1431/4885KDM4E 1537/4885

“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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