SCHEMBL528541

SCHEMBL528541

Cc1cc(C)cc(C2CCN(C(=O)OC(C)(C)C)CC2N)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GPR119 Q8TDV5 5/20 0.45
PDE4B Q07343 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
DPP4 P27487 1/20 0.42
EPHX2 P34913 1/20 0.41
TACR1 P25103 1/20 0.41
USP30 Q70CQ3 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL528604 0.88 GPR119 (0.55) KMT2AMEN1GPR119PDE4BDPP4
SCHEMBL15194703 0.86 DPP4 (0.47) KMT2AMEN1GPR119PDE4BKDM4E
SCHEMBL22039614 0.85 DPP4 (0.48) GPR119PDE4BKDM4EMAPTTHRB
SCHEMBL2244924 0.84 TACR1 (0.53) GPR119KDM4ETACR1USP30
SCHEMBL2242494 0.84 TACR1 (0.53) GPR119KDM4ETACR1USP30
SCHEMBL2247001 0.84 TACR1 (0.53) GPR119KDM4ETACR1USP30
SCHEMBL2244282 0.84 TACR1 (0.53) GPR119KDM4ETACR1USP30
SCHEMBL527927 0.84 TACR1 (0.53) GPR119KDM4ETACR1USP30
SCHEMBL13434401 0.84 TACR1 (0.53) GPR119KDM4ETACR1USP30
SCHEMBL15194142 0.82 DPP4 (0.45) GPR119PDE4BTHRBDPP4TACR1

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 KMT2A 105/4885MEN1 563/4885GPR119 1143/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA KMT2A 105/4885MEN1 563/4885GPR119 1143/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA KMT2A 105/4885MEN1 563/4885GPR119 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.