SCHEMBL2883778

SCHEMBL2883778

O=C(O)C[C@@H]1CCOc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.62
PPARD Q03181 5/20 0.60
PPARG P37231 4/20 0.60
PPARA Q07869 1/20 0.55
MAOB P27338 2/20 0.55
MAOA P21397 1/20 0.55
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
GRM5 P41594 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL4208749 0.91 MAOB (0.53) FFAR1PPARDPPARGMAOBMAOA
SCHEMBL14207883 0.90 FFAR1 (0.62) FFAR1PPARDPPARGMAOB
SCHEMBL4206530 0.88 FFAR1 (0.52) FFAR1PPARDPPARGMAOBMAOA
SCHEMBL4211545 0.88 FFAR1 (0.50) FFAR1PPARDPPARGMAOBMAOA
SCHEMBL12214587 0.87 FFAR1 (0.54) FFAR1PPARDMAOBMAOANPC1
SCHEMBL1846829 0.83 MAOB (0.58) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL13264375 0.82 PPARD (0.64) FFAR1PPARDPPARGPPARA
SCHEMBL4219623 0.82 MAOB (0.56) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL27704540 0.82 MAOB (0.51) FFAR1PPARDPPARGMAOBMAOA
SCHEMBL15687712 0.82 FFAR1 (0.50) FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-7759493-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
US-7759493-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-20090312303-A1 Antidiabetic Bicyclic Compounds MERCK & CO., INC. (US) 2009-12-17 US disclosed
US-20090312303-A1 Antidiabetic Bicyclic Compounds MERCK & CO., INC. (US) 2009-12-17 US disclosed
EP-1846379-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO INC (US) 2009-08-19 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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 FFAR1 8/4885PPARD 19/4885PPARG 7/4885
US-20090312303-A1 Antidiabetic Bicyclic Compounds GPR119, GPR55, GPR65 FFAR1 12/4885PPARD 15/4885PPARG 7/4885

“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.