SCHEMBL505216

SCHEMBL505216

O=C(NC1CC(c2ccccc2Cl)CCC1O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.50
CRBN Q96SW2 1/20 0.45
GRM4 Q14833 4/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
TNKS2 Q9H2K2 3/20 0.41
TNKS O95271 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRK1 P41145 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL505805 0.87 KMT2A (0.45) GRM5CRBNGRM4ALDH1A1SMN1; SMN2
SCHEMBL505186 0.79 CRBN (0.53) GRM5CRBNGRM4ALDH1A1MAPT
SCHEMBL30043552 0.76 GRM5 (0.61) GRM5CRBNSMYD3CNR2GAA
SCHEMBL30044931 0.76 GRM5 (0.65) GRM5CRBNNPC1ALDH1A1RAB9A
SCHEMBL30044657 0.76 GRM5 (0.65) GRM5CRBNNPC1ALDH1A1RAB9A
SCHEMBL30975217 0.76 GRM5 (0.65) GRM5CRBNNPC1ALDH1A1RAB9A
SCHEMBL30044005 0.76 GRM5 (0.65) GRM5CRBNNPC1ALDH1A1RAB9A
SCHEMBL30044693 0.76 GRM5 (0.61) GRM5CRBNSMYD3CNR2GAA
SCHEMBL30044039 0.76 GRM5 (0.65) GRM5CRBNNPC1ALDH1A1RAB9A
SCHEMBL30043283 0.76 GRM5 (0.61) GRM5CRBNSMYD3CNR2GAA

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 1/4885CRBN 1768/4885GRM4 7/4885

“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.