SCHEMBL528686

SCHEMBL528686

Cc1cc(C2CN(C(=O)OC(C)(C)C)CC2N)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.47
RORC P51449 1/20 0.47
DPP4 P27487 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
USP30 Q70CQ3 2/20 0.41
MC4R P32245 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL528143 0.91 PDE4B (0.47) PDE4BRORCDPP4USP30HDAC1
SCHEMBL19271002 0.91 PDE4B (0.49) PDE4BRORCDPP4USP30MC4R
SCHEMBL1974158 0.91 PDE4B (0.49) PDE4BRORCDPP4USP30MC4R
SCHEMBL528928 0.87 PDE4B (0.47) PDE4BRORCDPP4USP30MC4R
SCHEMBL528914 0.85 TACR3 (0.49) PDE4BRORCDPP4USP30MC4R
SCHEMBL528490 0.84 PDE4B (0.59) PDE4BRORC
SCHEMBL528565 0.84 RORC (0.54) PDE4BRORCHDAC1HDAC2TACR1
SCHEMBL12587287 0.84 RORC (0.54) PDE4BRORCHDAC1HDAC2TACR1
SCHEMBL30693150 0.84 RORC (0.54) PDE4BRORCHDAC1HDAC2TACR1
SCHEMBL12513594 0.84 RORC (0.54) PDE4BRORCHDAC1HDAC2TACR1

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 PDE4B 676/4885RORC 1474/4885DPP4 4719/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA PDE4B 676/4885RORC 1474/4885DPP4 4719/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA PDE4B 676/4885RORC 1474/4885DPP4 4719/4885

“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.