SCHEMBL528928

SCHEMBL528928

CC(C)(C)OC(=O)N1CC(N)C(c2ccc(F)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.47
DPP4 P27487 4/20 0.47
RORC P51449 1/20 0.46
USP30 Q70CQ3 2/20 0.43
TACR3 P29371 1/20 0.42
MC4R P32245 2/20 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
SCHEMBL528914 0.91 TACR3 (0.49) PDE4BDPP4RORCUSP30TACR3
SCHEMBL15758345 0.90 DPP4 (0.44) PDE4BDPP4USP30TACR3
SCHEMBL19271002 0.90 PDE4B (0.49) PDE4BDPP4RORCUSP30TACR3
SCHEMBL1974158 0.90 PDE4B (0.49) PDE4BDPP4RORCUSP30TACR3
SCHEMBL1971248 0.90 PDE4B (0.49) PDE4BDPP4RORCTACR3MC4R
SCHEMBL12513685 0.90 PDE4B (0.49) PDE4BDPP4RORCTACR3MC4R
SCHEMBL30693178 0.90 PDE4B (0.49) PDE4BDPP4RORCTACR3MC4R
SCHEMBL29994888 0.90 PDE4B (0.49) PDE4BDPP4RORCTACR3MC4R
SCHEMBL29087338 0.90 PDE4B (0.49) PDE4BDPP4RORCTACR3MC4R
SCHEMBL1968100 0.90 PDE4B (0.49) PDE4BDPP4RORCTACR3MC4R

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 PDE4B 676/4885DPP4 4719/4885RORC 1474/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA PDE4B 676/4885DPP4 4719/4885RORC 1474/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA PDE4B 676/4885DPP4 4719/4885RORC 1474/4885

“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.