SCHEMBL528345

SCHEMBL528345

CC(C)(C)OC(=O)N1CC(N)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.61
TACR1 P25103 3/20 0.50
MAPT P10636 1/20 0.47
MC4R P32245 1/20 0.46
PDE4B Q07343 2/20 0.45
GPR119 Q8TDV5 2/20 0.43
P2RY14 Q15391 1/20 0.42
LIPE Q05469 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
SCHEMBL528239 0.89 TACR1 (0.52) RORCTACR1MAPTPDE4BGPR119
SCHEMBL528565 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL30693150 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL12435431 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL12513594 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL12587287 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL1971296 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL1968859 0.87 RORC (0.54) RORCTACR1PDE4B
SCHEMBL28525722 0.87 RORC (0.63) RORCTACR1MAPTMC4RPDE4B
SCHEMBL528336 0.86 RORC (0.54) RORCTACR1MC4RPDE4B

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 RORC 1474/4885TACR1 3511/4885MAPT 4466/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA RORC 1474/4885TACR1 3511/4885MAPT 4466/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA RORC 1474/4885TACR1 3511/4885MAPT 4466/4885

“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.