SCHEMBL528139

SCHEMBL528139

CC(C)(C)OC(=O)N1CC(N)C(c2cccc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.51
RORC P51449 1/20 0.47
STS P08842 2/20 0.46
PDE4B Q07343 4/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
GRM5 P41594 1/20 0.42
TACR1 P25103 2/20 0.42
MC4R P32245 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
SCHEMBL15197023 0.86 RORC (0.50) DPP4RORCPDE4BGRM5TACR1
SCHEMBL527752 0.86 RORC (0.50) DPP4RORCPDE4BGRM5TACR1
SCHEMBL18597224 0.86 RORC (0.50) DPP4RORCPDE4BGRM5TACR1
SCHEMBL527777 0.86 RORC (0.47) DPP4RORCPDE4BTACR1
SCHEMBL1972532 0.85 RORC (0.51) DPP4RORCSTSPDE4BMC4R
SCHEMBL1969430 0.85 RORC (0.51) DPP4RORCSTSPDE4BMC4R
SCHEMBL15468652 0.85 RORC (0.51) DPP4RORCSTSPDE4BMC4R
SCHEMBL10238398 0.85 RORC (0.62) RORCPDE4BTACR1
SCHEMBL13975432 0.85 RORC (0.62) RORCPDE4BTACR1
SCHEMBL15730035 0.85 RORC (0.62) RORCPDE4BTACR1

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.