SCHEMBL16640388

SCHEMBL16640388

Fc1ccc(C2CN(c3ccc(F)cn3)CCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.46
▸ SLC6A9 P48067 6/20 0.45
▸ GRM1 Q13255 2/20 0.39
▸ PRKCQ Q04759 4/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.36
▸ CSNK1E P49674 1/20 0.36

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
SCHEMBL16640384 0.84 GSK3B (0.47) GSK3BSLC6A9
SCHEMBL3674770 0.83 GSK3B (0.48) GSK3BPRKCQPRKCD
SCHEMBL16640395 0.82 SLC6A9 (0.50) GSK3BSLC6A9PRKCQ
SCHEMBL20140748 0.81 ACVR1 (0.49) GRM1PRKCQPRKCDGPR119CSNK1E
SCHEMBL20140822 0.81 ACVR1 (0.49) GRM1PRKCQPRKCDGPR119CSNK1E
Hydrochloric Acid SCHEMBL31046079 0.80 ACVR1 (0.48) GRM1GPR119CSNK1E
SCHEMBL16640383 0.79 GSK3B (0.49) GSK3BSLC6A9PRKCQPRKCD
SCHEMBL21105412 0.76 SLC6A9 (0.48) GSK3BSLC6A9
SCHEMBL16640424 0.76 SLC6A9 (0.48) GSK3BSLC6A9
SCHEMBL16640441 0.76 SLC6A9 (0.48) GSK3BSLC6A9

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 GSK3B 3668/4885SLC6A9 121/4885GRM1 105/4885

“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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