SCHEMBL504732

SCHEMBL504732

Clc1ccccc1[C@@H]1CCc2oc(-c3ccccn3)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.46
ADRA1A P35348 2/20 0.44
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 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
SCHEMBL505565 1.00 GRM5 (0.46) GRM5ADRA1AKDM4ENPC1ALDH1A1
SCHEMBL504733 1.00 GRM5 (0.46) GRM5ADRA1AKDM4ENPC1ALDH1A1
SCHEMBL505158 0.93 GRM5 (0.45) GRM5ADRA1AKDM4ENPC1ALDH1A1
SCHEMBL505641 0.92 GRM5 (0.47) GRM5ADRA1AKDM4ENPC1ALDH1A1
SCHEMBL505317 0.91 ADRA1A (0.47) GRM5ADRA1AKDM4ENPC1ALDH1A1
SCHEMBL505112 0.89 GRM5 (0.44) GRM5ADRA1AKDM4ENPC1ALDH1A1
SCHEMBL505402 0.87 GRM5 (0.46) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10250182 0.87 NPC1 (0.45) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL504935 0.87 GRM5 (0.42) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL505188 0.87 GRM5 (0.42) GRM5KDM4ENPC1ALDH1A1TP53

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 3 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

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 1/4885ADRA1A 1524/4885KDM4E 2855/4885

“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.