SCHEMBL3330176

SCHEMBL3330176

COc1ccc(C(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.67
GPBAR1 Q8TDU6 1/20 0.65
CYSLTR1 Q9Y271 8/20 0.60
FFAR1 O14842 1/20 0.60
AKR1B1 P15121 1/20 0.60
PDE10A Q9Y233 4/20 0.58
CYSLTR2 Q9NS75 5/20 0.56

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
SCHEMBL13772730 0.91 GPBAR1 (0.70) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL13772715 0.91 GPBAR1 (0.74) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL4150300 0.89 GPBAR1 (0.65) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL3271686 0.87 PDE10A (0.65) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL3270051 0.87 GPBAR1 (0.66) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL10547475 0.84 CYSLTR1 (0.76) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL8800199 0.83 ALOX5 (0.72) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL13036699 0.83 GPBAR1 (0.74) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL3276054 0.82 GPBAR1 (0.62) ALOX5GPBAR1CYSLTR1FFAR1AKR1B1
SCHEMBL1419872 0.82 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALOX5 1447/4885GPBAR1 3270/4885CYSLTR1 4215/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A ALOX5 1447/4885GPBAR1 3270/4885CYSLTR1 4215/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALOX5 1447/4885GPBAR1 3270/4885CYSLTR1 4215/4885

“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.