SCHEMBL527646

SCHEMBL527646

CC(C)(C)OC(=O)N1CC(N)C(c2ccccc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.53
RORC P51449 1/20 0.46
STS P08842 1/20 0.43
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL528371 0.88 DPP4 (0.49) DPP4RORCSTSUSP30
SCHEMBL1725669 0.85 RORC (0.49) DPP4RORCNAMPTGPR119MEN1
SCHEMBL148142 0.85 RORC (0.49) DPP4RORCNAMPTGPR119MEN1
SCHEMBL148143 0.85 RORC (0.49) DPP4RORCNAMPTGPR119MEN1
SCHEMBL148144 0.85 RORC (0.49) DPP4RORCNAMPTGPR119MEN1
SCHEMBL31450144 0.84 PDE4B (0.48) RORCSTSNAMPTGPR119MEN1
SCHEMBL16780714 0.84 PDE4B (0.48) RORCSTSNAMPTGPR119MEN1
SCHEMBL16780715 0.84 PDE4B (0.48) RORCSTSNAMPTGPR119MEN1
SCHEMBL16780718 0.84 PDE4B (0.48) RORCSTSNAMPTGPR119MEN1
SCHEMBL527932 0.84 PDE4B (0.49) DPP4RORCNAMPTGPR119MEN1

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
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (3 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-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA DPP4 4719/4885RORC 1474/4885STS 4306/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA DPP4 4719/4885RORC 1474/4885STS 4306/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA DPP4 4719/4885RORC 1474/4885STS 4306/4885

“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.