SCHEMBL504740

SCHEMBL504740

FC(F)(F)c1ccc(-c2nc3c(o2)CCN(c2cnccn2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR1 P21453 2/20 0.44
GRM5 P41594 5/20 0.43
MAPT P10636 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.38
AOC3 Q16853 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL504598 0.88 GRM5 (0.45) S1PR5GRM5BCHEACHEBACE1
SCHEMBL10250482 0.86 GRM5 (0.45) S1PR5GRM5MAPTACHEBACE1
SCHEMBL505340 0.85 GRM5 (0.57) S1PR5GRM5
SCHEMBL505334 0.83 GRM5 (0.43) S1PR5S1PR3S1PR1GRM5MAPT
SCHEMBL505396 0.78 ALDH1A1 (0.47) GRM5MAPTKDM4E
SCHEMBL505363 0.77 GPR119 (0.50) GRM5MAPTBCHEACHEBACE1
SCHEMBL504897 0.75 GRM5 (0.78) S1PR5S1PR3S1PR1GRM5BCHE
SCHEMBL504788 0.73 GRM5 (0.55) GRM5MAPTBCHEACHEBACE1
SCHEMBL504787 0.72 GRM5 (0.64) GRM5MAPTBCHEACHEBACE1
SCHEMBL505639 0.72 NPC1 (0.39) S1PR5S1PR3S1PR1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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 (1 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 S1PR5 476/4885S1PR3 1018/4885S1PR1 1135/4885

“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.