SCHEMBL1034102

SCHEMBL1034102

O=C1CCc2cc(-c3ccc(OCC4CCCCC4)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.51
MAOB P27338 4/20 0.50
MAOA P21397 3/20 0.50
PARP15 Q460N3 5/20 0.47
PARP10 Q53GL7 5/20 0.47
HRH3 Q9Y5N1 3/20 0.45
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL1033318 0.83 MAOA (0.46) MAOBMAOAPARP15PARP10HPGD
SCHEMBL7649580 0.82 MAOA (0.56) MAOBMAOAPARP15PARP10HRH3
SCHEMBL10249569 0.78 MAOA (0.61) MAOBMAOAPARP15PARP10HRH3
SCHEMBL15818207 0.78 MAOB (0.60) MAOBMAOA
SCHEMBL1028352 0.75 MAOB (0.67) HSD17B1MAOBMAOAHPGD
SCHEMBL28655414 0.74 HSD17B1 (0.78) HSD17B1MAOBMAOAPARP10HRH3
SCHEMBL2592073 0.74 HSD17B1 (0.48) HSD17B1PARP15PARP10HPGD
SCHEMBL1745460 0.74 HSD17B1 (0.63) HSD17B1CYP1A2CYP11B1CYP11B2
SCHEMBL23483166 0.74 LTA4H (0.56) MAOBMAOAPARP15PARP10HRH3
SCHEMBL17361548 0.73 MAOB (0.54) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581509-B1 1-(AMINO)INDANES AS EDG RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-01-19 EP disclosed
EP-1581509-A4 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2008-04-23 EP disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 US disclosed
US-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2006-07-20 US disclosed
EP-1581509-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004058149-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES MERCK & CO., INC. (US) 2004-07-15 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 (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-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists IDO1, IDO2, EDNRA HSD17B1 769/4885MAOB 1511/4885MAOA 1597/4885

“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.