SCHEMBL505334

SCHEMBL505334

COc1ccc(-c2nc3c(o2)CCN(c2cnccn2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAOB P27338 1/20 0.40
S1PR5 Q9H228 6/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR1 P21453 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL10250482 0.88 GRM5 (0.45) GRM5LMNAL3MBTL1S1PR5ALDH1A1
SCHEMBL10250005 0.86 GRM5 (0.52) GRM5LMNAL3MBTL1S1PR5ALDH1A1
SCHEMBL504598 0.86 GRM5 (0.45) GRM5MAOBS1PR5ALDH1A1KDM4E
SCHEMBL505340 0.85 GRM5 (0.57) GRM5LMNAL3MBTL1S1PR5
SCHEMBL504740 0.83 S1PR5 (0.44) GRM5S1PR5KDM4ENPC1S1PR3
SCHEMBL505396 0.78 ALDH1A1 (0.47) GRM5LMNAMAOBALDH1A1HPGD
SCHEMBL505363 0.77 GPR119 (0.50) GRM5LMNAL3MBTL1MAOBHPGD
SCHEMBL504779 0.75 GRM5 (0.78) GRM5LMNAL3MBTL1S1PR5ALDH1A1
SCHEMBL10253678 0.73 ACHE (0.55) GRM5LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL504787 0.72 GRM5 (0.64) GRM5LMNARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885LMNA 4054/4885L3MBTL1 3924/4885

“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.