SCHEMBL2277177

SCHEMBL2277177

N#Cc1ccc([C@H]2CC[C@H](CCC=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
USP30 Q70CQ3 1/20 0.41
ESR2 Q92731 3/20 0.41
CYP2C9 P11712 2/20 0.38
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
PANK3 Q9H999 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL2277181 1.00 GRIA1 (0.42) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL7691957 0.96 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL7691956 0.96 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9326749 0.91 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9326742 0.91 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9328548 0.90 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9328535 0.90 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9502394 0.89 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9458397 0.88 HRH3 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9458409 0.88 HRH3 (0.39) GRIA1GRIA2GRIA3USP30ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP disclosed
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed
EP-0392515-B1 A difluoroalkylcyclohexyl-benzonitrile derivative CHISSO CORP (JP) 1994-03-16 EP disclosed
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
EP-0330216-B1 A LIQUID CRYSTAL COMPOUND Chisso Corporation (JP) 1993-05-12 EP disclosed
EP-0330216-A2 A liquid crystal compound Chisso Corporation (JP) 1989-08-30 EP disclosed
EP-0169327-B1 PHENYLISOTHIOCYANATES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-01-13 EP disclosed
US-4709030-A 4-ALKENYL OR 2Z-ALKENYL POLYPHENYL COMPOUNDS; ELECTRO-OPTICS HOFFMANN-LA ROCHE INC. (US) 1987-11-24 US disclosed
US-4676604-A RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-06-30 US disclosed
US-4621901-A ELECTROOPTICS HOFFMANN-LA ROCHE INC. (US) 1986-11-11 US disclosed
EP-0169327-A2 Phenylisothiocyanates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP disclosed
EP-0168683-A2 Liquid crystals with alkenyl or alkenyloxy groups F. HOFFMANN-LA ROCHE AG (CH) 1986-01-22 EP disclosed
US-4565425-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US disclosed
EP-0167912-A2 Liquid crystal mixtures containing compounds with a 4-alkenyl or 2Z-alkenyl lateral chain F. HOFFMANN-LA ROCHE AG (CH) 1986-01-15 EP disclosed
EP-0122389-A2 Liquid crystal components having an alkenyl chain F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-24 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 (1 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 GRIA1 1055/4885GRIA2 415/4885GRIA3 1181/4885

“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.