SCHEMBL3044686

SCHEMBL3044686

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.60
MAPK14 Q16539 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CRBN Q96SW2 1/20 0.50
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HDAC4 P56524 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ENPP2 Q13822 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR2 P34972 1/20 0.47

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
SCHEMBL3034467 0.91 MAPK14 (0.57) GHSRMAPK14MEN1KMT2ACRBN
SCHEMBL28132261 0.83 GHSR (0.58) GHSRMAPK14DRD2DRD3KDM4E
SCHEMBL29979105 0.82 MAPT (0.54) GHSRMEN1KMT2ACRBNALDH1A1
SCHEMBL1226103 0.82 MAPT (0.54) GHSRMEN1KMT2ACRBNALDH1A1
SCHEMBL16002856 0.81 GHSR (0.69) GHSRMAPK14MEN1KMT2ADRD2
SCHEMBL16156064 0.81 MEN1 (0.49) GHSRMAPK14MEN1KMT2ACRBN
SCHEMBL29200507 0.81 TSHR (0.66) MEN1KMT2ACRBNHDAC4ALDH1A1
SCHEMBL17443852 0.80 GHSR (0.75) GHSRMAPK14DRD2DRD3KDM4E
SCHEMBL20765762 0.80 L3MBTL1 (0.62) MEN1KMT2ACRBNKDM4EALDH1A1
SCHEMBL18935537 0.80 FAAH (0.58) MAPK14

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3415509-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2018-12-19 EP disclosed
EP-3169680-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2017-05-24 EP disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 US disclosed
WO-2016008592-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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 (2 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 GHSR 836/4885MAPK14 1841/4885MEN1 1165/4885
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines PDE4B, PDE4A, PDE12 GHSR 4464/4885MAPK14 2174/4885MEN1 3994/4885

“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.