SCHEMBL528218

SCHEMBL528218

CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(C(F)(F)F)c2)C(N)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.49
STS P08842 1/20 0.46
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
DPP4 P27487 1/20 0.42
P2RY14 Q15391 1/20 0.40
RORC P51449 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 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
SCHEMBL15194703 0.91 DPP4 (0.47) TACR1HDAC1HDAC2DPP4MEN1
SCHEMBL528026 0.90 TACR1 (0.47) TACR1STSHDAC1HDAC2DPP4
SCHEMBL528144 0.85 TACR1 (0.54) TACR1STSRORC
SCHEMBL528239 0.84 TACR1 (0.52) TACR1STSP2RY14RORCPDE4B
SCHEMBL22039614 0.83 DPP4 (0.48) TACR1HDAC1HDAC2DPP4PDE4B
SCHEMBL528373 0.83 GPR119 (0.48) TACR1HDAC1HDAC2DPP4RORC
SCHEMBL15194668 0.82 HDAC1 (0.51) TACR1HDAC1HDAC2DPP4RORC
SCHEMBL528541 0.81 KMT2A (0.46) TACR1HDAC1HDAC2DPP4MEN1
SCHEMBL15055326 0.80 KDM1A (0.49) TACR1STSHDAC1HDAC2DPP4
SCHEMBL31749851 0.79 GPBAR1 (0.50) TACR1STSHDAC1HDAC2P2RY14

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 3511/4885STS 4306/4885HDAC1 76/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885STS 4306/4885HDAC1 76/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA TACR1 3511/4885STS 4306/4885HDAC1 76/4885

“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.