SCHEMBL12059103

SCHEMBL12059103

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CCCC2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CTSD P07339 2/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
BCL2A1 Q16548 2/20 0.39
BID P55957 1/20 0.39
LMNA P02545 1/20 0.38
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL12059332 0.87 BCL2A1 (0.38) CTSDACHEBCHEBCL2A1
SCHEMBL6922324 0.86 L3MBTL1 (0.39) L3MBTL1ACHEBCHELMNA
SCHEMBL12059331 0.85 BCL2A1 (0.39) CTSDACHEBCHEBCL2A1BID
SCHEMBL6922300 0.82 ACHE (0.44) L3MBTL1ACHEBCHE
SCHEMBL6922000 0.79 ACHE (0.38) CTSDACHEBCHE
SCHEMBL12059079 0.77 BCL2A1 (0.38) L3MBTL1CTSDBCL2A1BIDLMNA
SCHEMBL30723334 0.75 BCHE (0.39) L3MBTL1ACHEBCHELMNA
SCHEMBL6922592 0.74 CYP2D6 (0.40) CTSDACHEBCHELMNA
SCHEMBL6923330 0.74 KDM4E (0.58) L3MBTL1ACHEBCHELMNA
SCHEMBL6921722 0.73 GRM5 (0.41)

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 1 patent. 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

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 3622/4885CTSD 4089/4885ACHE 479/4885

“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.