SCHEMBL6921795

SCHEMBL6921795

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CCN(CCO)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.46
BCL2A1 Q16548 3/20 0.41
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6920958 0.88 GRM2 (0.45) GRM2BCL2A1KCNH2
SCHEMBL6922513 0.87 RXFP1 (0.45) GRM2RAB9AKCNH2SMN1; SMN2
SCHEMBL9994383 0.85 GRM2 (0.44) GRM2RAB9ANPC1HTR3EHTR3B
SCHEMBL6923595 0.85 GRM2 (0.41) GRM2BCL2A1RAB9ANPC1
SCHEMBL6922267 0.85 GRM2 (0.48) GRM2BCL2A1SMN1; SMN2
SCHEMBL6922377 0.84 LMNA (0.41) GRM2BCL2A1RAB9ANPC1SMN1; SMN2
SCHEMBL6923042 0.84 RAB9A (0.39) GRM2BCL2A1RAB9ANPC1SMN1; SMN2
SCHEMBL6920986 0.79 GRM2 (0.44) GRM2RAB9ANPC1SMN1; SMN2
SCHEMBL12058968 0.79 LMNA (0.47) RAB9ANPC1SMN1; SMN2
SCHEMBL6923898 0.79 ALDH1A1 (0.44) RAB9ANPC1KCNH2SMN1; SMN2

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 2/4885BCL2A1 3768/4885RAB9A 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.