SCHEMBL15465308

SCHEMBL15465308

CCOC(=O)C(=O)NCC(=O)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DNTT P04053 1/20 0.44
MGLL Q99685 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MAPT P10636 1/20 0.41
RAF1 P04049 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL22557266 0.84 GSK3B (0.51) GPR35EGLN1GSK3BALDH1A1GAA
SCHEMBL31301454 0.84 EGLN1 (0.54) GPR35EGLN1GSK3BALDH1A1RAB9A
SCHEMBL934877 0.81 DNTT (0.55) GPR35GSK3BALDH1A1RAB9AGAA
SCHEMBL22617525 0.81 ALDH1A1 (0.56) GPR35EGLN1GSK3BALDH1A1RAB9A
SCHEMBL2223996 0.81 EGLN1 (0.59) GPR35EGLN1ALDH1A1RAB9AGAA
SCHEMBL25250700 0.81 GPR35 (0.46) GPR35EGLN1ALDH1A1GAAL3MBTL1
SCHEMBL22557448 0.81 GPR35 (0.49) GPR35EGLN1ALDH1A1GAAL3MBTL1
SCHEMBL30474022 0.81 GPR35 (0.46) GPR35EGLN1ALDH1A1GAAL3MBTL1
SCHEMBL15682822 0.80 GPR35 (0.50) GPR35EGLN1ALDH1A1RAB9AGAA
SCHEMBL22557054 0.80 ALDH1A1 (0.49) GPR35EGLN1ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926308-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-27 US disclosed
US-9926308-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-27 US disclosed
EP-2880027-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-09-28 EP disclosed
EP-2880027-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-09-28 EP disclosed
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
EP-2880027-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-06-10 EP disclosed
US-20140045823-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2014-02-13 US disclosed
US-20140045823-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2014-02-13 US disclosed
WO-2014019967-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 WO disclosed
WO-2014019967-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 WO 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 (2 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-20140045823-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR180, GPR119, CNR1 GPR35 54/4885EGLN1 557/4885GSK3B 4654/4885
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR119, FFAR1, FFAR2 GPR35 53/4885EGLN1 515/4885GSK3B 4688/4885

“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.