SCHEMBL4201003

SCHEMBL4201003

CC(C)(C)OC(=O)N1CC(Oc2ccc(N)cc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.52
NR1H2 P55055 1/20 0.47
PDE4B Q07343 9/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
USP30 Q70CQ3 2/20 0.42
PDE4D Q08499 2/20 0.42
RBP4 P02753 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL13419720 0.91 GPR119 (0.58) GPR119NR1H2PDE4BHDAC1HDAC2
SCHEMBL30140331 0.91 GPR119 (0.58) GPR119NR1H2PDE4BHDAC1HDAC2
SCHEMBL13419722 0.89 PDE4B (0.52) GPR119NR1H2PDE4BUSP30PDE4D
SCHEMBL5971305 0.88 GPR119 (0.66) GPR119NR1H2PDE4BPDE4DPDE4A
SCHEMBL12003024 0.85 NR1H2 (0.47) GPR119NR1H2PDE4BUSP30PDE4D
SCHEMBL22031561 0.85 GPR119 (0.52) GPR119PDE4BUSP30PDE4DRBP4
SCHEMBL2581353 0.85 PDE4B (0.53) NR1H2PDE4BUSP30PDE4DPDE4A
SCHEMBL20425239 0.85 USP30 (0.57) GPR119PDE4BUSP30PDE4DRBP4
SCHEMBL4519218 0.85 PDE4B (0.59) NR1H2PDE4BPDE4DPDE4APDE4C
SCHEMBL22817811 0.83 GPR119 (0.48) GPR119NR1H2PDE4BUSP30PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3186224-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
WO-2016030310-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 EP disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 GPR119 6/4885NR1H2 185/4885PDE4B 612/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 GPR119 6/4885NR1H2 185/4885PDE4B 612/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R GPR119 16/4885NR1H2 241/4885PDE4B 1799/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R GPR119 16/4885NR1H2 259/4885PDE4B 1851/4885

“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.