SCHEMBL622970

SCHEMBL622970

CC(C)COc1cc(N2CCN(C(=O)c3csc(C(C)C)n3)CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
CHRM2 P08172 5/20 0.38
CHRM3 P20309 5/20 0.38
GAA P10253 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
GBA1 P04062 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL624375 0.86 HRH3 (0.37) HRH3
SCHEMBL623783 0.84 PTGDR2 (0.43) TLR7
SCHEMBL624207 0.83 KMT2A (0.47) KMT2AMEN1HRH3GAAALDH1A1
SCHEMBL623490 0.82 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL623175 0.81 IRAK4 (0.44) TLR7
SCHEMBL623909 0.80 HRH4 (0.34) KMT2AMEN1HRH3ALDH1A1
SCHEMBL623267 0.79 KCNK3 (0.43) KMT2AMEN1HRH3ALDH1A1
SCHEMBL624384 0.79 MEN1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL623239 0.79 ALDH1A1 (0.52) GAAALDH1A1
SCHEMBL623746 0.78 KCNK3 (0.43) KMT2AMEN1HRH3

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 8 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
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 KMT2A 1431/4885GFER 2430/4885MEN1 4301/4885

“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.