SCHEMBL16640400

SCHEMBL16640400

CC(C)(C)OC(=O)N1CCNC(c2ccc(Cl)s2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
NR1H2 P55055 1/20 0.38
USP30 Q70CQ3 2/20 0.38
POLB P06746 1/20 0.37
STS P08842 5/20 0.36
PDE4B Q07343 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL16640405 0.88 MAPK1 (0.42) MAPK1KMT2AESR2KDM4EMAPT
SCHEMBL16640416 0.86 MAPK1 (0.40) MAPK1ESR2KDM4EMAPTTHRB
SCHEMBL16640403 0.86 MAPK1 (0.40) MAPK1ESR2KDM4EMAPTTHRB
SCHEMBL23982238 0.81 STS (0.47) MAPK1MEN1KMT2AMAPTUSP30
SCHEMBL30397321 0.81 STS (0.47) MAPK1MEN1KMT2AMAPTUSP30
SCHEMBL16640404 0.80 MAPK1 (0.44) MAPK1MEN1KMT2AKDM4EMAPT
SCHEMBL3318358 0.80 MEN1 (0.49) MAPK1MEN1KMT2ASTSPDE4B
SCHEMBL940218 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119
SCHEMBL19745334 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119
SCHEMBL5651780 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119

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 MAPK1 2451/4885MEN1 1881/4885KMT2A 1963/4885

“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.