SCHEMBL528706

SCHEMBL528706

CC(C)(C)OC(=O)N1CC(N)C(c2cccc3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
RORC P51449 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
DPP4 P27487 3/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 1/20 0.40
BACE1 P56817 1/20 0.40
TACR1 P25103 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CYP11B2 P19099 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
SCHEMBL1725669 0.83 RORC (0.49) KDM1ARORCMEN1KMT2ADPP4
SCHEMBL527646 0.83 DPP4 (0.53) RORCMEN1KMT2ADPP4NAMPT
SCHEMBL148144 0.83 RORC (0.49) KDM1ARORCMEN1KMT2ADPP4
SCHEMBL148142 0.83 RORC (0.49) KDM1ARORCMEN1KMT2ADPP4
SCHEMBL148143 0.83 RORC (0.49) KDM1ARORCMEN1KMT2ADPP4
SCHEMBL527932 0.82 PDE4B (0.49) RORCMEN1KMT2ADPP4NAMPT
SCHEMBL528557 0.81 RORC (0.45) RORCDPP4NAMPTUSP30KDM4E
SCHEMBL527742 0.80 DPP4 (0.45) RORCDPP4NAMPTUSP30TACR1
SCHEMBL376884 0.80 RORC (0.62) RORCNAMPTUSP30TACR1KDM4E
SCHEMBL2331698 0.80 RORC (0.62) RORCNAMPTUSP30TACR1KDM4E

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 KDM1A 167/4885RORC 1474/4885MEN1 563/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA KDM1A 167/4885RORC 1474/4885MEN1 563/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA KDM1A 167/4885RORC 1474/4885MEN1 563/4885

“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.