SCHEMBL16640396

SCHEMBL16640396

Clc1ccc(C2CN(c3ncc(C4CC4)cn3)CCN2)s1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 9/20 0.51
▸ ACACB O00763 2/20 0.33
▸ NAPEPLD Q6IQ20 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ GSK3B P49841 4/20 0.32
▸ MLYCD O95822 1/20 0.32

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
SCHEMBL16640392 0.87 SLC6A9 (0.49) SLC6A9PDE10AGSK3B
SCHEMBL16640398 0.77 SLC6A9 (0.49) SLC6A9PRKCQPRKCDPDE10AGSK3B
SCHEMBL16640399 0.74 SLC6A9 (0.52) SLC6A9
SCHEMBL16640519 0.68 SLC6A9 (1.00) SLC6A9
SCHEMBL24467706 0.67 ALDH1A1 (0.55) —
SCHEMBL4283638 0.65 CHRM5 (0.40) —
Hydrochloric Acid SCHEMBL29208842 0.65 ALDH1A1 (0.58) —
SCHEMBL16640384 0.65 GSK3B (0.47) SLC6A9GSK3B
SCHEMBL14709145 0.64 — —
SCHEMBL11478176 0.63 OPRK1 (0.35) —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 — — EP disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 — — US disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 — — US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 — — WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 — — US disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 — — US 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 SLC6A9 121/4885ACACB 1869/4885NAPEPLD 1615/4885

“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.

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