SCHEMBL1836883

SCHEMBL1836883

O=CC1(c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A3 Q01959 3/20 0.38
HSD11B1 P28845 5/20 0.38
DAO P14920 1/20 0.36
SLC6A4 P31645 2/20 0.35
LIG1 P18858 1/20 0.35
SLC6A2 P23975 1/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL12020399 0.91 LIG1 (0.41) MAOBMAOASLC6A3HSD11B1DAO
SCHEMBL436575 0.90 SLC6A3 (0.47) MAOBMAOASLC6A3HSD11B1SLC6A4
SCHEMBL28231792 0.86 DAO (0.35) MAOBMAOASLC6A3HSD11B1DAO
SCHEMBL11920697 0.86 NPC1 (0.38) MAOBMAOASLC6A3HSD11B1SLC6A4
SCHEMBL14183800 0.83 OPRM1 (0.47) SLC6A3SLC6A4
SCHEMBL1833071 0.79 CES2 (0.32) SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL7406286 0.78 CYP2D6 (0.41)
SCHEMBL20876288 0.77 SLC6A3 (0.39) MAOBMAOASLC6A3HSD11B1DAO
SCHEMBL8290260 0.77 CYP2A6 (0.41) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL1335909 0.77 ESR2 (0.46) APPCYP3A4CYP2C9CYP2C19

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260016-B Synthesis method of phenylcycloalkyl derivative 苏州爱玛特生物科技有限公司 2023-11-24 CN disclosed
CN-115260016-A Synthetic method of phenyl cycloalkyl derivative 苏州爱玛特生物科技有限公司 2022-11-01 CN disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
EP-0900218-B1 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0900218-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-05-23 EP disclosed
US-6117883-A Heterocyclic compounds ELI LILLY AND COMPANY (US) 2000-09-12 US disclosed
EP-0900218-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
US-5763700-A INSECTICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-06-09 US disclosed
WO-1997040044-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed
EP-0660815-B1 PESTICIDAL FLUOROOLEFINS BRITISH TECH GROUP (GB) 1997-04-16 EP disclosed
EP-0660815-A1 PESTICIDAL FLUOROOLEFINS. BRITISH TECNOLOGY GROUP PLC (GB) 1995-07-05 EP disclosed
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R MAOB 16/4885MAOA 18/4885SLC6A3 105/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R MAOB 16/4885MAOA 18/4885SLC6A3 105/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 MAOB 1740/4885MAOA 2821/4885SLC6A3 1040/4885

“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.