SCHEMBL16640393

SCHEMBL16640393

CC(C)(C)OC(=O)N1CCNC(c2ccc(F)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 3/20 0.43
USP30 Q70CQ3 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
BRD3 Q15059 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
PAK1 Q13153 1/20 0.39
MC4R P32245 1/20 0.39
NR3C2 P08235 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
SCHEMBL28620049 1.00 SMN1; SMN2 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL29892095 0.91 GPR119 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL22086319 0.91 GPR119 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL22086326 0.91 GPR119 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL29892008 0.91 GPR119 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL29891665 0.91 GPR119 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL29372092 0.91 GPR119 (0.45) SMN1; SMN2GPR119USP30HDAC1HDAC2
SCHEMBL4029062 0.90 GSK3B (0.43) SMN1; SMN2GPR119HDAC1HDAC2BRD3
SCHEMBL4029061 0.90 GSK3B (0.43) SMN1; SMN2GPR119HDAC1HDAC2BRD3
Hydrochloric Acid SCHEMBL14335191 0.89 GSK3B (0.44) SMN1; SMN2GPR119HDAC1HDAC2BRD3

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 7 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
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 SMN1; SMN2 3859/4885GPR119 449/4885USP30 2966/4885

“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.