SCHEMBL528039

SCHEMBL528039

COc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
ABL2 P42684 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PDE4B Q07343 3/20 0.45
STS P08842 2/20 0.45
DPP4 P27487 1/20 0.45
TGFBR1 P36897 1/20 0.45
TACR1 P25103 1/20 0.44
USP30 Q70CQ3 1/20 0.43
EPHX2 P34913 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HTT P42858 1/20 0.42
SLC9A1 P19634 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
SCHEMBL28544506 0.90 PDE4B (0.50) MEN1KMT2AABL1EGFRSRC
SCHEMBL13858326 0.90 PDE4B (0.50) MEN1KMT2AABL1EGFRSRC
SCHEMBL527623 0.90 PDE4B (0.50) MEN1KMT2AABL1EGFRSRC
SCHEMBL16267455 0.88 MEN1 (0.49) MEN1KMT2AABL1EGFRSRC
SCHEMBL528604 0.87 GPR119 (0.55) MEN1KMT2APDE4BSTSDPP4
SCHEMBL19168895 0.86 MEN1 (0.48) MEN1KMT2AABL1EGFRSRC
SCHEMBL1752278 0.86 PDE4B (0.53) MEN1KMT2AABL1EGFRSRC
SCHEMBL12592451 0.86 PDE4B (0.53) MEN1KMT2AABL1EGFRSRC
SCHEMBL528373 0.86 GPR119 (0.48) MEN1KMT2ADPP4TACR1USP30
SCHEMBL18618448 0.85 PDE4B (0.54) MEN1KMT2AABL1EGFRSRC

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 MEN1 563/4885KMT2A 105/4885ABL1 48/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA MEN1 563/4885KMT2A 105/4885ABL1 48/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA MEN1 563/4885KMT2A 105/4885ABL1 48/4885

“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.