SCHEMBL528026

SCHEMBL528026

CC(C)(C)OC(=O)N1CC(N)C(c2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.47
RORC P51449 3/20 0.46
STS P08842 1/20 0.41
PDE4B Q07343 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MC4R P32245 1/20 0.38
DPP4 P27487 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
SCHEMBL528218 0.90 TACR1 (0.49) TACR1RORCSTSPDE4BHDAC1
SCHEMBL15055336 0.85 DPP4 (0.42) TACR1RORCSTSPDE4BHDAC1
SCHEMBL528540 0.85 DPP4 (0.42) TACR1RORCSTSPDE4BHDAC1
SCHEMBL31749851 0.84 GPBAR1 (0.50) TACR1RORCSTSPDE4BGPBAR1
SCHEMBL528336 0.84 RORC (0.54) TACR1RORCPDE4BMC4R
SCHEMBL528345 0.83 RORC (0.61) TACR1RORCPDE4BMC4R
SCHEMBL18597224 0.81 RORC (0.50) TACR1RORCPDE4BHDAC1HDAC2
SCHEMBL15197023 0.81 RORC (0.50) TACR1RORCPDE4BHDAC1HDAC2
SCHEMBL527752 0.81 RORC (0.50) TACR1RORCPDE4BHDAC1HDAC2
SCHEMBL12587287 0.81 RORC (0.54) TACR1RORCPDE4BHDAC1HDAC2

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 TACR1 3511/4885RORC 1474/4885STS 4306/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885RORC 1474/4885STS 4306/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA TACR1 3511/4885RORC 1474/4885STS 4306/4885

“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.