SCHEMBL6923613

SCHEMBL6923613

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CC1CCCN1C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MCHR1 Q99705 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CTSD P07339 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL12059544 1.00 GRM2 (0.37) GRM2KDM2BL3MBTL1HRH3MCHR1
SCHEMBL6920992 0.97 L3MBTL1 (0.38) KDM2BL3MBTL1HRH3CYP1A2CYP3A4
SCHEMBL6922907 0.85 GRM5 (0.45) GRM5
SCHEMBL15865811 0.85 GRM5 (0.45) GRM5
SCHEMBL6922176 0.85 CYP2C9 (0.38) GRM2KDM2BHRH3
SCHEMBL6922582 0.83 GRM5 (0.47) L3MBTL1RAB9ANPC1GRM5ALDH1A1
SCHEMBL6922431 0.81 NPC1 (0.39) KDM2BL3MBTL1HRH3CYP1A2CYP3A4
SCHEMBL14239312 0.81 NPC1 (0.39) KDM2BL3MBTL1HRH3CYP1A2CYP3A4
SCHEMBL6920747 0.81 NPC1 (0.39) KDM2BL3MBTL1HRH3CYP1A2CYP3A4
SCHEMBL12059605 0.80 KDM2B (0.44) KDM2BL3MBTL1HRH3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 GRM2 2/4885KDM2B 2923/4885L3MBTL1 3622/4885

“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.