SCHEMBL337334

SCHEMBL337334

CC(C)c1c(C(=O)CCc2ccccc2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 15/20 0.56
CYP19A1 P11511 1/20 0.45
P2RX4 Q99571 1/20 0.44

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
SCHEMBL337715 0.87 S1PR3 (0.60) S1PR3
SCHEMBL337115 0.85 S1PR3 (0.61) S1PR3CYP19A1P2RX4
SCHEMBL337180 0.84 S1PR3 (0.60) S1PR3CYP19A1P2RX4
SCHEMBL337867 0.79 S1PR3 (0.61) S1PR3
SCHEMBL290622 0.78 S1PR3 (0.73) S1PR3
SCHEMBL336720 0.77 S1PR3 (0.53) S1PR3
SCHEMBL337335 0.77 S1PR3 (0.53) S1PR3
SCHEMBL336721 0.77 S1PR3 (0.53) S1PR3
SCHEMBL337924 0.75 S1PR3 (0.62) S1PR3
SCHEMBL336685 0.74 S1PR3 (0.61) S1PR3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-01-09 US disclosed
US-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-01-09 US disclosed
US-8563594-B2 S1P3 receptor inhibitors for treating pain ALLERGAN, INC. (US) 2013-10-22 US disclosed
US-8563594-B2 S1P3 receptor inhibitors for treating pain ALLERGAN, INC. (US) 2013-10-22 US disclosed
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 US disclosed
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-20110009453-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION DONELLO JOHN E 2011-01-13 US disclosed
WO-2010129553-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING CONDITIONS OF THE EYE ALLERGAN, INC. (US) 2010-11-11 WO disclosed
US-20100249069-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN DONELLO JOHN E 2010-09-30 US disclosed
US-20100249069-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN DONELLO JOHN E 2010-09-30 US disclosed
WO-2009117335-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION ALLERGAN, INC. (US) 2009-09-24 WO disclosed
WO-2008141013-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2008-11-20 WO disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 WO disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 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 (5 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-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN S1PR3, LPAR3, S1PR2 S1PR3 1/4885CYP19A1 4724/4885P2RX4 68/4885
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 S1PR3 3/4885CYP19A1 1996/4885P2RX4 204/4885
US-20110009453-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION S1PR3, S1PR1, S1PR2 S1PR3 1/4885CYP19A1 4327/4885P2RX4 83/4885
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye S1PR3, S1PR1, S1PR2 S1PR3 1/4885CYP19A1 4057/4885P2RX4 456/4885
US-20100249069-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN S1PR3, LPAR3, S1PR2 S1PR3 1/4885CYP19A1 4724/4885P2RX4 68/4885

“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.