SCHEMBL623862

SCHEMBL623862

Cc1ccc(C(=O)N2CCN(c3cc(OCC(C)C)ncn3)C(=O)C2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.38
KCNH2 Q12809 10/20 0.38
CYP3A4 P08684 2/20 0.38
HRH1 P35367 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PRLHR P49683 2/20 0.36
GRM5 P41594 1/20 0.35
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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 0.87 ALDH1A1 (0.43) ABL1BCRMEN1KMT2A
SCHEMBL623173 0.79 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL622643 0.77 CPT2 (0.41)
SCHEMBL622642 0.77 CPT2 (0.41)
SCHEMBL622699 0.77 MGLL (0.46) HRH3MEN1KMT2A
SCHEMBL622939 0.75 SLC6A7 (0.35)
SCHEMBL623690 0.75 POLB (0.51) HRH3MEN1KMT2A
SCHEMBL624165 0.74 MEN1 (0.46) ABL1BCRMEN1KMT2A
SCHEMBL622506 0.73 ACACB (0.43) ABL1BCRHSD11B1MEN1KMT2A
SCHEMBL624217 0.70 ALDH1A1 (0.39) ABL1BCRGRM5HSD11B1MEN1

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 HRH3 2457/4885KCNH2 7/4885CYP3A4 4454/4885

“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.