SCHEMBL16640402

SCHEMBL16640402

CC(C)(C)OC(=O)N1CCNC(c2ccc(F)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
PDE4B Q07343 2/20 0.41
MAPK1 P28482 1/20 0.40
MMP13 P45452 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
MMP2 P08253 1/20 0.40
MMP14 P50281 1/20 0.40
RORC P51449 1/20 0.39
USP30 Q70CQ3 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL31263683 0.87 USP30 (0.43) DPP4PDE4BMAPK1RORCUSP30
SCHEMBL17519223 0.87 RORC (0.44) PDE4BMAPK1MMP13RORCGPR119
SCHEMBL3694373 0.87 RORC (0.44) PDE4BMAPK1MMP13RORCGPR119
SCHEMBL3694375 0.87 RORC (0.44) PDE4BMAPK1MMP13RORCGPR119
SCHEMBL24238987 0.85 GPR119 (0.45) MAPK1RORCUSP30GPR119HDAC6
SCHEMBL30661804 0.85 GPR119 (0.45) MAPK1RORCUSP30GPR119HDAC6
SCHEMBL22087688 0.85 GPR119 (0.45) MAPK1RORCUSP30GPR119HDAC6
SCHEMBL30273301 0.85 GPR119 (0.45) MAPK1RORCUSP30GPR119HDAC6
SCHEMBL16640409 0.85 GPR119 (0.45) MAPK1RORCUSP30GPR119HDAC6
SCHEMBL29116091 0.84 DPP4 (0.40) DPP4PDE4BMAPK1RORCUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DPP4 350/4885PDE4B 3777/4885MAPK1 2451/4885

“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.