SCHEMBL16640398

SCHEMBL16640398

Cc1cnc(N2CCNC(c3ccc(Cl)s3)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 5/20 0.49
▸ PDE10A Q9Y233 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ GSK3B P49841 4/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ ACVR1 Q04771 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
SCHEMBL16640399 0.84 SLC6A9 (0.52) SLC6A9EIF2AK4
SCHEMBL16640392 0.83 SLC6A9 (0.49) SLC6A9PDE10AKCNH2GPR119GSK3B
SCHEMBL16640396 0.77 SLC6A9 (0.51) SLC6A9PDE10APRKCQPRKCDGSK3B
SCHEMBL14268090 0.70 HDAC1 (0.47) SLC6A9KCNH2GPR119PRKCQPRKCD
SCHEMBL16640537 0.67 SLC6A9 (1.00) SLC6A9
SCHEMBL2629281 0.66 PLD1 (0.47) KCNH2GPR119
SCHEMBL11478176 0.64 OPRK1 (0.35) —
SCHEMBL16472349 0.64 KCNH2 (0.40) SLC6A9KCNH2GPR119
SCHEMBL16588022 0.64 KCNH2 (0.40) SLC6A9KCNH2GPR119
SCHEMBL81916 0.63 ADRA2A (0.40) SLC6A9KCNH2GPR119

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 121/4885PDE10A 2576/4885KCNH2 1665/4885

“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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