SCHEMBL12059079

SCHEMBL12059079

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CC(Cc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.38
BID P55957 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSD P07339 5/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM2 Q14416 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CASR P41180 1/20 0.35
GRIN2B Q13224 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
SCHEMBL6920561 0.85 L3MBTL1 (0.36) L3MBTL1LMNACASR
SCHEMBL12059019 0.84 CTSD (0.36) BCL2A1CTSDGRM2
SCHEMBL12059022 0.81 GRM2 (0.39) BCL2A1CTSDUSP2CYP1A2CYP3A4
SCHEMBL6922281 0.81 CACNA2D1 (0.38) L3MBTL1USP2CYP1A2CYP2C9CYP2C19
SCHEMBL6920638 0.79 RAB9A (0.38) L3MBTL1CYP1A2CYP3A4CYP2C19GRM2
SCHEMBL6921782 0.78 GSK3A (0.36) BCL2A1CTSDCYP1A2CYP3A4
SCHEMBL12059075 0.77 GRM2 (0.37) L3MBTL1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL12059033 0.77 RAB9A (0.37) CYP1A2CYP3A4CYP2C19GRM2LMNA
SCHEMBL12059103 0.77 L3MBTL1 (0.41) BCL2A1BIDL3MBTL1CTSDDRD2
SCHEMBL6920969 0.77 GRM2 (0.37) BCL2A1L3MBTL1CYP1A2CYP3A4CYP2C19

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 2219/4885L3MBTL1 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.