SCHEMBL1556943

SCHEMBL1556943

COc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)N(C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.56
CYSLTR1 Q9Y271 2/20 0.48
CYSLTR2 Q9NS75 1/20 0.48
ALOX5 P09917 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
LGALS3 P17931 1/20 0.46
PDE4D Q08499 1/20 0.46
HTR2B P41595 1/20 0.45

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
SCHEMBL1420440 0.91 PDE10A (0.57) PDE10ACYSLTR1CYSLTR2LGALS3PDE4D
SCHEMBL12404419 0.87 PDE10A (0.46) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL1557640 0.82 PDE10A (0.59) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL12404414 0.82 PDE10A (0.59) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL13772898 0.80 CYSLTR1 (0.69) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL1419982 0.80 PDE10A (0.64) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL3328309 0.79 PDE10A (0.56) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL10547475 0.79 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL1420004 0.77 PDE10A (0.64) PDE10ACYSLTR1CYSLTR2LGALS3PDE4D
SCHEMBL17124669 0.76 PDE10A (0.56) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 US disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 US disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 US disclosed
EP-2303863-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-04-06 EP disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A PDE10A 7/4885CYSLTR1 4556/4885CYSLTR2 4635/4885
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A PDE10A 7/4885CYSLTR1 4556/4885CYSLTR2 4635/4885
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ACHE, PDE7A, PDE5A PDE10A 7/4885CYSLTR1 4522/4885CYSLTR2 4616/4885

“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.