SCHEMBL6923898

SCHEMBL6923898

COCCN1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ACHE P22303 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
RAB9A P51151 3/20 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
SCHEMBL6922513 0.91 RXFP1 (0.45) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL9994293 0.86 GRM5 (0.39) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL12058968 0.84 LMNA (0.47) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL12059614 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETP53SMN1; SMN2L3MBTL1
SCHEMBL6922193 0.83 L3MBTL1 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL6921555 0.83 BCL2A1 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL6922562 0.81 RAB9A (0.42) ALDH1A1KDM4ELMNAHPGDMAPK1
SCHEMBL12059068 0.80 LMNA (0.50) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL6920781 0.80 LMNA (0.48) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL6923330 0.79 KDM4E (0.58) ALDH1A1KDM4ELMNATP53MAPT

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 ALDH1A1 1721/4885KDM4E 2003/4885LMNA 4613/4885

“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.