SCHEMBL528565

SCHEMBL528565

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.54
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
PDE4B Q07343 4/20 0.46
TACR1 P25103 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.41
NAMPT P43490 1/20 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
SCHEMBL12587287 1.00 RORC (0.54) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL12513594 1.00 RORC (0.54) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL30693150 1.00 RORC (0.54) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL12435431 1.00 RORC (0.54) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL1968859 1.00 RORC (0.54) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL1971296 1.00 RORC (0.54) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL19893341 0.89 HDAC1 (0.48) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL12513127 0.89 HDAC1 (0.48) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL12435409 0.89 HDAC1 (0.48) RORCHDAC1HDAC2PDE4BTACR1
SCHEMBL12513655 0.89 HDAC1 (0.48) RORCHDAC1HDAC2PDE4BTACR1

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 8 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
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 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 (4 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B RORC 3261/4885HDAC1 1052/4885HDAC2 1094/4885
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA RORC 1474/4885HDAC1 76/4885HDAC2 132/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA RORC 1474/4885HDAC1 76/4885HDAC2 132/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA RORC 1474/4885HDAC1 76/4885HDAC2 132/4885

“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.