SCHEMBL623165

SCHEMBL623165

CC(C)COc1cc(N2CCN(C(=O)c3cc4ccccc4cn3)CC2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.44
DPP4 P27487 2/20 0.42
HTR3A P46098 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM4 P08173 4/20 0.40
POLB P06746 2/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD3 P35462 2/20 0.39
TRPC6 Q9Y210 2/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL624496 0.85 TSHR (0.53) CCKARDPP4MEN1KMT2AALDH1A1
SCHEMBL623189 0.85 PTK2 (0.51) DPP4MEN1KMT2APOLBHTR1A
SCHEMBL623692 0.83 HRH4 (0.47) HTR1AALDH1A1TSHR
SCHEMBL623267 0.83 KCNK3 (0.43) CCKARMEN1KMT2AHTR1AHTR2A
SCHEMBL624539 0.83 MGLL (0.44) CCKARDPP4MEN1KMT2APOLB
SCHEMBL622627 0.83 DRD2 (0.49) DPP4MEN1KMT2ADRD3DRD2
SCHEMBL623746 0.82 KCNK3 (0.43) CCKARMEN1KMT2ATSHR
SCHEMBL622299 0.82 ELOVL1 (0.40) MEN1KMT2AALDH1A1TSHR
SCHEMBL623703 0.82 HRH4 (0.54) DPP4HTR1ADRD3DRD2
SCHEMBL622785 0.81 GAA (0.41) CCKARKMT2APOLBALDH1A1TSHR

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 CCKAR 2030/4885DPP4 718/4885HTR3A 2364/4885

“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.