SCHEMBL6920992

SCHEMBL6920992

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CC1CCCCN1C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GRM5 P41594 3/20 0.35
LMNA P02545 1/20 0.35
IL4I1 Q96RQ9 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
SCHEMBL12059544 0.97 GRM2 (0.37) L3MBTL1HRH3RAB9ASMN1; SMN2NPC1
SCHEMBL6923613 0.97 GRM2 (0.37) L3MBTL1HRH3RAB9ASMN1; SMN2NPC1
SCHEMBL6922582 0.86 GRM5 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6922907 0.83 GRM5 (0.45) GRM5
SCHEMBL15865811 0.83 GRM5 (0.45) GRM5
SCHEMBL6922176 0.82 CYP2C9 (0.38) HRH3KDM2B
SCHEMBL6922154 0.82 NPC1 (0.39) L3MBTL1HRH3RAB9ASMN1; SMN2NPC1
SCHEMBL6920698 0.80 ALDH1A1 (0.40) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12059605 0.79 KDM2B (0.44) L3MBTL1HRH3RAB9ASMN1; SMN2NPC1
SCHEMBL6922431 0.78 NPC1 (0.39) L3MBTL1HRH3RAB9ASMN1; SMN2NPC1

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 L3MBTL1 3622/4885HRH3 1089/4885RAB9A 1387/4885

“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.