SCHEMBL12059331

SCHEMBL12059331

C=CCC1CCCn2c1nc1cc(-c3cccc(F)c3)ccc1c2=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 7/20 0.39
BID P55957 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
CTSD P07339 4/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM2 Q14416 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
SCHEMBL12059332 0.87 BCL2A1 (0.38) BCL2A1CTSDBCHEACHEKCNH2
SCHEMBL6923285 0.86 GRM5 (0.38) ALDH1A1GFER
SCHEMBL12059103 0.85 L3MBTL1 (0.41) BCL2A1BIDCTSDBCHEACHE
SCHEMBL6920304 0.81 RAB9A (0.39) ALDH1A1BCHEACHE
SCHEMBL6922000 0.79 ACHE (0.38) CTSDBCHEACHEKCNH2GRM2
SCHEMBL6922592 0.74 CYP2D6 (0.40) ALDH1A1CTSDBCHEACHEGRM2
SCHEMBL6923330 0.74 KDM4E (0.58) ALDH1A1BCHEACHE
SCHEMBL6921722 0.73 GRM5 (0.41)
SCHEMBL6921643 0.73 MEN1 (0.57) ALDH1A1BCHEACHE
SCHEMBL6923595 0.73 GRM2 (0.41) BCL2A1BIDALDH1A1GFERGRM2

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 BCL2A1 3768/4885BID 2219/4885ALDH1A1 1721/4885

“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.