SCHEMBL16640395

SCHEMBL16640395

Fc1ccc(C2CN(c3cnc(C(F)(F)F)cn3)CCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 12/20 0.50
▸ GSK3B P49841 2/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ PRKCQ Q04759 2/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL16640388 0.82 GSK3B (0.46) SLC6A9GSK3BPRKCQ
SCHEMBL3674770 0.81 GSK3B (0.48) GSK3BPRKCQ
SCHEMBL23744093 0.78 HTR2C (0.41) SLC6A9PRKCQNR1H2NR1H3CHRM2
SCHEMBL28966553 0.78 HTR2C (0.41) SLC6A9PRKCQNR1H2NR1H3CHRM2
SCHEMBL30165205 0.78 HTR2C (0.41) SLC6A9PRKCQNR1H2NR1H3CHRM2
SCHEMBL28966669 0.78 HTR2C (0.41) SLC6A9PRKCQNR1H2NR1H3CHRM2
SCHEMBL16640399 0.78 SLC6A9 (0.52) SLC6A9EIF2AK4CHRM2CHRM1
SCHEMBL16640424 0.78 SLC6A9 (0.48) SLC6A9GSK3BEIF2AK4CHRM2CHRM1
SCHEMBL21105412 0.78 SLC6A9 (0.48) SLC6A9GSK3BEIF2AK4CHRM2CHRM1
SCHEMBL16640441 0.78 SLC6A9 (0.48) SLC6A9GSK3BEIF2AK4CHRM2CHRM1

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 121/4885GSK3B 3668/4885EIF2AK4 543/4885

“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.

Send feedback