SCHEMBL529014

SCHEMBL529014

CC(C)(C)OC(=O)N1CCC(c2ccccc2F)C(N)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
DPP4 P27487 2/20 0.45
USP30 Q70CQ3 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR1 P25103 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL148142 0.89 RORC (0.49) GPR119DPP4USP30MEN1KMT2A
SCHEMBL148143 0.89 RORC (0.49) GPR119DPP4USP30MEN1KMT2A
SCHEMBL148144 0.89 RORC (0.49) GPR119DPP4USP30MEN1KMT2A
SCHEMBL1725669 0.89 RORC (0.49) GPR119DPP4USP30MEN1KMT2A
SCHEMBL3788083 0.87 GPR119 (0.48) GPR119USP30MEN1KMT2ATACR1
SCHEMBL22040099 0.86 GPR119 (0.48) GPR119DPP4MEN1KMT2AMAPT
SCHEMBL23982326 0.85 TACR1 (0.49) GPR119USP30MEN1KMT2ATACR1
SCHEMBL22038829 0.85 GPR119 (0.48) GPR119DPP4
SCHEMBL2242055 0.85 DPP4 (0.54) DPP4DPP8DPP9DPP7
SCHEMBL2247001 0.83 TACR1 (0.53) GPR119USP30TACR1JAK2JAK1

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 GPR119 1143/4885DPP4 4719/4885USP30 1957/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA GPR119 1143/4885DPP4 4719/4885USP30 1957/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA GPR119 1143/4885DPP4 4719/4885USP30 1957/4885

“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.