SCHEMBL527987

SCHEMBL527987

CC(C)(C)OC(=O)N1CC(N)C(c2c(F)cccc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
DPP4 P27487 3/20 0.44
RORC P51449 1/20 0.43
STS P08842 3/20 0.43
USP30 Q70CQ3 2/20 0.40
KAT6A Q92794 1/20 0.40
KAT5 Q92993 1/20 0.40
NAMPT P43490 1/20 0.39
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SCN9A Q15858 1/20 0.38
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL25044113 0.84 STS (0.46) MEN1MAPK1KMT2ARORCSTS
SCHEMBL528371 0.84 DPP4 (0.49) DPP4RORCSTSUSP30KAT6A
SCHEMBL528557 0.81 RORC (0.45) DPP4RORCUSP30NAMPTGPR119
SCHEMBL148144 0.81 RORC (0.49) MEN1KMT2ADPP4RORCUSP30
SCHEMBL1725669 0.81 RORC (0.49) MEN1KMT2ADPP4RORCUSP30
SCHEMBL148143 0.81 RORC (0.49) MEN1KMT2ADPP4RORCUSP30
SCHEMBL148142 0.81 RORC (0.49) MEN1KMT2ADPP4RORCUSP30
SCHEMBL527646 0.81 DPP4 (0.53) MEN1KMT2ADPP4RORCSTS
SCHEMBL31449915 0.81 KMT2A (0.45) MEN1MAPK1KMT2ADPP4RORC
SCHEMBL31449797 0.81 KMT2A (0.45) MEN1MAPK1KMT2ADPP4RORC

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 563/4885MAPK1 1284/4885KMT2A 105/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA MEN1 563/4885MAPK1 1284/4885KMT2A 105/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA MEN1 563/4885MAPK1 1284/4885KMT2A 105/4885

“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.