SCHEMBL624600

SCHEMBL624600

CC(C)Oc1cc(N2CCN(C(=O)c3nn(C)c4ccc(F)cc34)CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
LRRK2 Q5S007 10/20 0.39
ACACB O00763 1/20 0.38
CHRM4 P08173 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ELOVL1 Q9BW60 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
SCHEMBL624356 0.89 DRD2 (0.41) DRD2HTR2ACHRM4CHRM2CHRM5
SCHEMBL624155 0.88 DRD2 (0.51) DRD2HTR2ALRRK2ACACB
SCHEMBL624703 0.86 HTR2A (0.41) DRD2HTR2AACACBCHRM4CHRM2
SCHEMBL624190 0.85 ACACB (0.41) DRD2HTR2AACACBCHRM4CHRM2
SCHEMBL624128 0.82 LRRK2 (0.52) LRRK2
SCHEMBL622626 0.77 DRD2 (0.52) DRD2HTR2A
SCHEMBL623090 0.76 PTGS2 (0.45) LRRK2ACACBELOVL1
SCHEMBL15006673 0.75 ACACB (0.35) LRRK2ACACBCHRM4ELOVL1
SCHEMBL624639 0.74 DRD2 (0.51) DRD2HTR2AACACB
SCHEMBL624623 0.73 DRD2 (0.49) DRD2HTR2AACACB

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 DRD2 2482/4885HTR2A 1361/4885LRRK2 2278/4885

“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.