SCHEMBL16640403

SCHEMBL16640403

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
USP30 Q70CQ3 6/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RORC P51449 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PDE4B Q07343 1/20 0.36
ESR2 Q92731 1/20 0.36
DPP4 P27487 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) MAPK1USP30KDM4EMAPTTHRB
SCHEMBL16640400 0.86 MAPK1 (0.40) MAPK1USP30KDM4EMAPTTHRB
SCHEMBL16640416 0.86 MAPK1 (0.40) MAPK1USP30KDM4EMAPTTHRB
SCHEMBL16640409 0.81 GPR119 (0.45) MAPK1USP30RORCGPR119
SCHEMBL22087688 0.81 GPR119 (0.45) MAPK1USP30RORCGPR119
SCHEMBL24238987 0.81 GPR119 (0.45) MAPK1USP30RORCGPR119
SCHEMBL30661804 0.81 GPR119 (0.45) MAPK1USP30RORCGPR119
SCHEMBL30273301 0.81 GPR119 (0.45) MAPK1USP30RORCGPR119
SCHEMBL16640404 0.80 MAPK1 (0.44) MAPK1USP30KDM4EMAPTRORC
SCHEMBL3694373 0.80 RORC (0.44) MAPK1RORCGPR119HDAC1HDAC2

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 2451/4885USP30 2966/4885KDM4E 4255/4885

“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.