SCHEMBL505114

SCHEMBL505114

N#Cc1cc(F)cc(C2CCC(O)C(NC(=O)c3ccccn3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
GRM4 Q14833 3/20 0.42
MAOB P27338 1/20 0.40
GPR6 P46095 2/20 0.39
CRBN Q96SW2 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL505270 0.83 GRM5 (0.47) GRM5GRM4MAOBGPR6CRBN
SCHEMBL505805 0.77 KMT2A (0.45) GRM5GRM4CRBNTNKSTNKS2
SCHEMBL505216 0.73 GRM5 (0.50) GRM5GRM4CRBNTNKSTNKS2
SCHEMBL504747 0.69 TRPM5 (0.34)
SCHEMBL30975217 0.68 GRM5 (0.65) GRM5CRBNSMN1; SMN2GAANPC1
SCHEMBL30044039 0.68 GRM5 (0.65) GRM5CRBNSMN1; SMN2GAANPC1
SCHEMBL30044657 0.68 GRM5 (0.65) GRM5CRBNSMN1; SMN2GAANPC1
SCHEMBL30044005 0.68 GRM5 (0.65) GRM5CRBNSMN1; SMN2GAANPC1
SCHEMBL30044693 0.68 GRM5 (0.61) GRM5CRBNGAA
SCHEMBL30043552 0.68 GRM5 (0.61) GRM5CRBNGAA

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 GRM5 1/4885GRM4 7/4885MAOB 1620/4885

“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.