SCHEMBL623276

SCHEMBL623276

CC(C)COc1cc(N2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
VDR P11473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
ELOVL1 Q9BW60 5/20 0.41
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL624486 0.91 THRA (0.45) KDM4EALDH1A1RAB9ASMN1; SMN2VDR
SCHEMBL623690 0.84 POLB (0.51) KDM4EALDH1A1SMN1; SMN2ELOVL1POLB
SCHEMBL624188 0.83 MAPT (0.46) KDM4EALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL623234 0.82 ELOVL1 (0.51) KDM4ESMN1; SMN2ELOVL1POLB
SCHEMBL15006743 0.81 KMT2A (0.50) KDM4EHTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL622519 0.81 ALDH1A1 (0.51) HTTALDH1A1TSHRSMN1; SMN2ELOVL1
SCHEMBL624150 0.79 GRM5 (0.51) ALDH1A1ELOVL1
SCHEMBL622950 0.79 MAPT (0.49) ALDH1A1RAB9ASMN1; SMN2ELOVL1
SCHEMBL623263 0.79 KDM4E (0.49) KDM4EALDH1A1ELOVL1
SCHEMBL623274 0.79 KDM4E (0.49) KDM4EALDH1A1ELOVL1

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 7 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-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 1537/4885HTT 362/4885ALDH1A1 2071/4885

“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.