SCHEMBL2167295

SCHEMBL2167295

O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)OCC(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
GPBAR1 Q8TDU6 2/20 0.53
CYSLTR1 Q9Y271 7/20 0.52
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
CYSLTR2 Q9NS75 4/20 0.49
PDE10A Q9Y233 7/20 0.48

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
SCHEMBL10411541 0.82 FFAR1 (0.67) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL10410351 0.81 ALOX5 (0.65) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL10410384 0.80 ALOX5 (0.61) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL1419751 0.79 CYSLTR1 (0.73) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL13772730 0.79 GPBAR1 (0.70) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL1558343 0.78 ALOX5 (0.55) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL3271686 0.78 PDE10A (0.65) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL8800199 0.77 ALOX5 (0.72) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL3270051 0.76 GPBAR1 (0.66) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL1419872 0.75 FFAR1 (0.77) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1

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
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 US disclosed
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 US 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 ALOX5 779/4885GPBAR1 3412/4885CYSLTR1 4556/4885
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A ALOX5 779/4885GPBAR1 3412/4885CYSLTR1 4556/4885
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ACHE, PDE7A, PDE5A ALOX5 733/4885GPBAR1 3238/4885CYSLTR1 4522/4885

“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.