SCHEMBL505730

SCHEMBL505730

Fc1ccc(-c2nc3c(o2)CCC(c2cnccn2)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
GRM5 P41594 7/20 0.36
TERT O14746 1/20 0.34
CYP2C9 P11712 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR119 Q8TDV5 5/20 0.32
PRCP P42785 1/20 0.32
RAB9A P51151 2/20 0.32
KCNH2 Q12809 1/20 0.31
NPC1 O15118 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
SCHEMBL10252100 0.89 NPC1 (0.35) GRM5CYP2C9ALDH1A1GPR119RAB9A
SCHEMBL505795 0.88 GPR119 (0.41) GRM5ALDH1A1GPR119PRCPRAB9A
SCHEMBL505639 0.88 NPC1 (0.39) NPC1
SCHEMBL506208 0.86 NPC1 (0.39) ALDH1A1RAB9ANPC1
SCHEMBL505120 0.85 PRCP (0.38) NAMPTGRM5ALDH1A1GPR119PRCP
SCHEMBL505085 0.81 GRM5 (0.38) GRM5TERTALDH1A1RAB9ANPC1
SCHEMBL505368 0.79 GPR119 (0.51) GRM5ALDH1A1GPR119PRCPRAB9A
SCHEMBL505759 0.75 GPR119 (0.43) GRM5ALDH1A1GPR119PRCPRAB9A
SCHEMBL505831 0.74 GRM5 (0.39) GRM5TERTALDH1A1TDP1RAB9A
SCHEMBL7877288 0.74 GPR119 (0.36) GRM5ALDH1A1GPR119PRCP

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 6 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
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 NAMPT 2026/4885GRM5 1/4885TERT 4787/4885

“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.