SCHEMBL16633012

SCHEMBL16633012

CC(C)(C)OC(=O)N1CCNC(c2cccc(F)c2F)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
MAPK1 P28482 1/20 0.42
SCN9A Q15858 2/20 0.42
USP30 Q70CQ3 2/20 0.39
CXCR2 P25025 1/20 0.38
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL16640483 1.00 GPR119 (0.45) GPR119MAPK1SCN9AUSP30CXCR2
SCHEMBL28946071 0.92 GPR119 (0.42) GPR119MAPK1SCN9AUSP30KDM4E
SCHEMBL16640394 0.91 MAPK1 (0.46) GPR119MAPK1SCN9AUSP30GRM5
SCHEMBL31444393 0.89 GPR119 (0.43) GPR119MAPK1SCN9AUSP30KDM4E
SCHEMBL16640393 0.84 SMN1; SMN2 (0.45) GPR119MAPK1USP30
SCHEMBL28620049 0.84 SMN1; SMN2 (0.45) GPR119MAPK1USP30
SCHEMBL25354916 0.83 MAPK1 (0.48) GPR119MAPK1USP30KDM4EJAK2
SCHEMBL30453849 0.83 MAPK1 (0.48) GPR119MAPK1USP30KDM4EJAK2
SCHEMBL30453635 0.83 MAPK1 (0.48) GPR119MAPK1USP30KDM4EJAK2
SCHEMBL22086319 0.82 GPR119 (0.45) GPR119MAPK1USP30

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN disclosed
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3057963-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2016-08-24 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
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
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
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 GPR119 449/4885MAPK1 2451/4885SCN9A 3906/4885

“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.