SCHEMBL528557

SCHEMBL528557

CC(C)(C)OC(=O)N1CC(N)C(c2cccc(F)c2F)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
DPP4 P27487 3/20 0.43
GPR119 Q8TDV5 2/20 0.42
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
USP30 Q70CQ3 3/20 0.39
SCN9A Q15858 1/20 0.39
PDE4B Q07343 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NAMPT P43490 1/20 0.38
LIPE Q05469 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL148144 0.90 RORC (0.49) RORCDPP4GPR119USP30SCN9A
SCHEMBL148143 0.90 RORC (0.49) RORCDPP4GPR119USP30SCN9A
SCHEMBL148142 0.90 RORC (0.49) RORCDPP4GPR119USP30SCN9A
SCHEMBL1725669 0.90 RORC (0.49) RORCDPP4GPR119USP30SCN9A
SCHEMBL527742 0.89 DPP4 (0.45) RORCDPP4GPR119KDM4EUSP30
SCHEMBL528371 0.88 DPP4 (0.49) RORCDPP4KDM4EUSP30LIPE
SCHEMBL1968429 0.83 DPP4 (0.46) RORCDPP4USP30PDE4BHDAC1
SCHEMBL470457 0.81 DPP4 (0.57) RORCDPP4HTR2CHTR2BUSP30
SCHEMBL22038829 0.81 GPR119 (0.48) DPP4GPR119ALOX5APFEN1HDAC1
SCHEMBL527987 0.81 MEN1 (0.47) RORCDPP4GPR119USP30SCN9A

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 RORC 1474/4885DPP4 4719/4885GPR119 1143/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA RORC 1474/4885DPP4 4719/4885GPR119 1143/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA RORC 1474/4885DPP4 4719/4885GPR119 1143/4885

“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.