SCHEMBL16640441

SCHEMBL16640441

Fc1ccc([C@H]2CN(c3ncc(C(F)(F)F)cn3)CCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 15/20 0.48
▸ GSK3B P49841 2/20 0.43
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ ACACB O00763 1/20 0.39

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
SCHEMBL16640424 1.00 SLC6A9 (0.48) SLC6A9GSK3BCHRM2CHRM1EIF2AK4
SCHEMBL21105412 1.00 SLC6A9 (0.48) SLC6A9GSK3BCHRM2CHRM1EIF2AK4
SCHEMBL16640384 0.88 GSK3B (0.47) SLC6A9GSK3B
SCHEMBL16640383 0.83 GSK3B (0.49) SLC6A9GSK3B
SCHEMBL16640387 0.80 SLC6A9 (0.48) SLC6A9GSK3BEIF2AK4
SCHEMBL16640395 0.78 SLC6A9 (0.50) SLC6A9GSK3BCHRM2CHRM1EIF2AK4
SCHEMBL23744096 0.77 HTR2C (0.42) SLC6A9CHRM2CHRM1ACACB
SCHEMBL21520912 0.77 HTR2C (0.42) SLC6A9CHRM2CHRM1ACACB
SCHEMBL12356311 0.77 HTR2C (0.42) SLC6A9CHRM2CHRM1ACACB
SCHEMBL16640388 0.76 GSK3B (0.46) SLC6A9GSK3B

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 3668/4885CHRM2 3451/4885

“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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