SCHEMBL6318820

SCHEMBL6318820

COc1cccc(/C=C/C(=O)N(C)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.62
▸ FOS P01100 1/20 0.62
▸ JUN P05412 1/20 0.62
▸ BCHE P06276 1/20 0.62
▸ CYP1A2 P05177 4/20 0.60
▸ CYP2D6 P10635 4/20 0.60
▸ CYP1A1 P04798 3/20 0.60
▸ CYP1B1 Q16678 3/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ALOX5 P09917 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ PTGS2 P35354 1/20 0.59

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
SCHEMBL6320363 1.00 MAOB (0.62) MAOBFOSJUNBCHECYP1A2
SCHEMBL5446308 0.91 MAOB (0.62) MAOBFOSJUNBCHECYP1A2
SCHEMBL9380767 0.87 ALOX5 (0.80) MAOBFOSJUNBCHENPC1
SCHEMBL9380757 0.87 ALOX5 (0.80) MAOBFOSJUNBCHENPC1
SCHEMBL15128596 0.86 MAOB (0.54) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580362 0.83 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL29822711 0.83 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580365 0.83 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL9387783 0.83 ALOX5 (0.66) MAOBBCHEALOX5PTGS1PTGS2
SCHEMBL9387791 0.83 ALOX5 (0.66) MAOBBCHEALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024048438-A1 DIASTEREOMER PREPARATION METHOD, AND SOLID-PHASE PHOTOSENSITIZER 学校法人東京理科大学 2024-03-07 — — WO disclosed
EP-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 — — EP disclosed
US-10059667-B2 Antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2018-08-28 — — US disclosed
EP-3102198-A1 ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-12-14 — — EP disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 — — US disclosed
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 — — WO disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 — — US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 — — EP disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 — — US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 — — WO disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 — — EP disclosed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 — — US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 — — US disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 — — 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 (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-20160332968-A1 ANTIDIABETIC COMPOUNDS GPR119, GLP1R, GIPR MAOB 4173/4885FOS 1796/4885JUN 2331/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 MAOB 3976/4885FOS 2547/4885JUN 3474/4885
US-10059667-B2 Antidiabetic compounds GPR119, GLP1R, GIPR MAOB 4173/4885FOS 1796/4885JUN 2331/4885

“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.

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