SCHEMBL16640389

SCHEMBL16640389

Fc1ccc(C2CN(c3cnc(C(F)(F)F)nc3)CCN2)s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 9/20 0.51
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ MLYCD O95822 5/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 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
SCHEMBL16640387 0.80 SLC6A9 (0.48) SLC6A9PARP1CHRM4EIF2AK4CHRNB2
SCHEMBL16640390 0.78 SLC6A9 (0.50) SLC6A9CHRM2CHRM1CHRM4
SCHEMBL23815705 0.69 SLC6A9 (0.70) SLC6A9
SCHEMBL16640399 0.68 SLC6A9 (0.52) SLC6A9CHRM2CHRM1EIF2AK4
SCHEMBL16640536 0.68 SLC6A9 (1.00) SLC6A9
SCHEMBL3922776 0.68 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL20555935 0.64 CHRM2 (0.44) SLC6A9CHRM2CHRM1CHRM4
SCHEMBL21624750 0.63 SLC6A9 (0.41) SLC6A9CHRM2CHRM1CHRM4
SCHEMBL21624747 0.63 SLC6A9 (0.41) SLC6A9CHRM2CHRM1CHRM4
SCHEMBL16640398 0.62 SLC6A9 (0.49) SLC6A9EIF2AK4

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 121/4885CHRM2 3451/4885CHRM1 3056/4885

“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