SCHEMBL3102826

SCHEMBL3102826

O=C(O)CCCN1CC(C(=O)O)Oc2c(C=Cc3ccc(OCCCc4ccccc4)cc3)cccc21

nearest known ligand 0.95

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 19/20 0.95
CYSLTR1 Q9Y271 18/20 0.95
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 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
SCHEMBL3102813 1.00 CYSLTR2 (0.95) CYSLTR2CYSLTR1S1PR1S1PR3
SCHEMBL3094496 0.98 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL3105249 0.98 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL3094491 0.98 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL3098766 0.97 CYSLTR2 (0.98) CYSLTR2CYSLTR1
SCHEMBL3098773 0.97 CYSLTR2 (0.98) CYSLTR2CYSLTR1
SCHEMBL3094357 0.94 CYSLTR2 (0.84) CYSLTR2CYSLTR1S1PR1S1PR3
SCHEMBL3094441 0.94 CYSLTR2 (0.84) CYSLTR2CYSLTR1S1PR1S1PR3
SCHEMBL3094435 0.94 CYSLTR2 (0.84) CYSLTR2CYSLTR1S1PR1S1PR3
SCHEMBL3094358 0.94 CYSLTR2 (0.84) CYSLTR2CYSLTR1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661892-B1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-07-24 EP disclosed
US-8318952-B2 Substituted indole derivatives for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
EP-2481732-A1 Condensed ring compound and use thereof Ono Pharmaceutical Co., Ltd. (JP) 2012-08-01 EP disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20060194797-A1 Condensed ring compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1661892-A1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF CYSLTR2, CYSLTR1, LTB4R2 CYSLTR2 1/4885CYSLTR1 2/4885S1PR1 2840/4885
US-20060194797-A1 Condensed ring compound and use thereof CYSLTR2, CYSLTR1, LTB4R2 CYSLTR2 1/4885CYSLTR1 2/4885S1PR1 2840/4885

“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.