SCHEMBL2949836

SCHEMBL2949836

CC1(C)OCC(c2cccc(C=O)c2F)O1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.35
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL2946834 1.00 ERN1 (0.35) ERN1HCRTR1HCRTR2
SCHEMBL2939462 0.78 HTR1A (0.35) HCRTR1HCRTR2
SCHEMBL22070983 0.78 HCRTR2 (0.33) HCRTR1HCRTR2
SCHEMBL2947113 0.77 HCRTR2 (0.37) HCRTR1HCRTR2
SCHEMBL22499461 0.76 SMN1; SMN2 (0.38)
SCHEMBL22070616 0.75 HCRTR2 (0.33) HCRTR2
SCHEMBL28841519 0.74 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL22071102 0.74 DRD2 (0.37) HCRTR1HCRTR2
SCHEMBL2946311 0.71 TSHR (0.42)
SCHEMBL2947255 0.71 TSHR (0.42)

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
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
CN-1964950-A Propane-1,3-dione derivative or its salt ASTELLAS PHARMA INC (JP) 2007-05-16 CN disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR ERN1 2213/4885HCRTR1 1085/4885HCRTR2 1367/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR ERN1 2285/4885HCRTR1 1145/4885HCRTR2 1305/4885

“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.