SCHEMBL623285

SCHEMBL623285

O=C(c1cc2ccccc2cn1)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
DPP4 P27487 2/20 0.45
CHRM4 P08173 8/20 0.43
CCKAR P32238 2/20 0.42
DCK P27707 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL623906 0.85 PTK2 (0.54) ACACBDPP4CHRM4DCK
SCHEMBL623169 0.85 TSHR (0.53) ACACB
SCHEMBL623784 0.81 PDE4D (0.43) ACACBCHRM4POLBKMT2A
SCHEMBL623193 0.81 ALDH1A1 (0.61) ACACBCHRM4CHRM2CHRM5CHRM1
SCHEMBL623165 0.80 CCKAR (0.44) DPP4CHRM4CCKARPOLBMEN1
SCHEMBL623470 0.80 ALOX15 (0.45) ACACBDCKMEN1KMT2A
SCHEMBL623587 0.78 L3MBTL1 (0.48) ACACBCHRM4MEN1KMT2A
SCHEMBL624277 0.77 PDE10A (0.47) ACACBCHRM4MEN1KMT2A
SCHEMBL624105 0.77 ACACB (0.41) ACACBCHRM4POLBMEN1KMT2A
SCHEMBL624765 0.77 ALDH1A1 (0.50) ACACBMEN1KMT2A

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 ACACB 544/4885DPP4 718/4885CHRM4 3102/4885

“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.