SCHEMBL6921950

SCHEMBL6921950

O=c1c2ccc(-c3ccc(F)cc3)cc2ncn1CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
CYP2D6 P10635 3/20 0.46
KDM4C Q9H3R0 2/20 0.44
GRK2 P25098 2/20 0.42
GRK1 Q15835 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6920793 0.89 ICMT (0.47) MAPK14MAPK13MAPK12MAPK11CYP2D6
SCHEMBL6921460 0.84 MMP13 (0.45) MAPK14MAPK13MAPK12MAPK11CYP2D6
SCHEMBL6921393 0.83 KDM4E (0.56) CYP2D6MEN1ALDH1A1MAPTKMT2A
SCHEMBL12059006 0.80 RAB9A (0.54) GRK2GRK1HDAC3HDAC4HDAC1
SCHEMBL6921437 0.79 USP7 (0.47) CYP2D6MEN1ALDH1A1MAPTKMT2A
SCHEMBL2052028 0.77 GRM5 (0.46)
SCHEMBL6922249 0.77 MAPT (0.46) CYP2D6GRK2GRK1HDAC6MEN1
SCHEMBL6921783 0.76 ACVR1 (0.50) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6921401 0.74 PRPS1 (0.49) GRK2GRK1GRIN2BSLC2A1
SCHEMBL6921545 0.74 STAT3 (0.65) GRK2GRK1HDAC3HDAC4HDAC1

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 MAPK14 2364/4885MAPK13 1913/4885MAPK12 1524/4885

“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.