SCHEMBL623690

SCHEMBL623690

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ELOVL1 Q9BW60 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A7 Q99884 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL623893 0.88 ALDH1A1 (0.43) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL623173 0.88 ALDH1A1 (0.41) POLBELOVL1KDM4EMEN1KMT2A
SCHEMBL622699 0.87 MGLL (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL623234 0.85 ELOVL1 (0.51) POLBL3MBTL1ELOVL1KDM4EMEN1
SCHEMBL624486 0.85 THRA (0.45) POLBELOVL1KDM4EKMT2AALDH1A1
SCHEMBL622519 0.85 ALDH1A1 (0.51) ELOVL1MEN1KMT2AALDH1A1LMNA
SCHEMBL624185 0.85 KDM4E (0.44) POLBL3MBTL1KDM4EMEN1KMT2A
SCHEMBL623276 0.84 KDM4E (0.46) POLBELOVL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL623263 0.84 KDM4E (0.49) ELOVL1KDM4EKMT2AALDH1A1LMNA
SCHEMBL623274 0.84 KDM4E (0.49) ELOVL1KDM4EKMT2AALDH1A1LMNA

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 POLB 3044/4885L3MBTL1 2801/4885ELOVL1 1241/4885

“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.