SCHEMBL6923201

SCHEMBL6923201

CN(C(=O)OC(C)(C)C)C1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2054133 0.88 L3MBTL1 (0.38) KDM4ERAB9ANPC1L3MBTL1CYP1A2
SCHEMBL6922263 0.86 MAP4K4 (0.42) KDM4ERAB9ANPC1L3MBTL1CYP1A2
SCHEMBL12059547 0.83 RAB9A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6920820 0.81 RAB9A (0.43) KDM4ERAB9ANPC1L3MBTL1CYP1A2
SCHEMBL6922345 0.80 HTR1A (0.41) KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6922545 0.80 BCL2A1 (0.41) RAB9ANPC1L3MBTL1CYP2C19APOBEC3A
SCHEMBL6920741 0.79 RAB9A (0.41) KDM4ERAB9ANPC1L3MBTL1CYP1A2
SCHEMBL12059776 0.79 RAB9A (0.40) KDM4ERAB9ANPC1L3MBTL1CYP1A2
SCHEMBL12059151 0.78 RAB9A (0.38) KDM4ERAB9ANPC1L3MBTL1CYP1A2
SCHEMBL6921830 0.77 RAB9A (0.41) KDM4ERAB9ANPC1L3MBTL1CYP1A2

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 KDM4E 2003/4885RAB9A 1387/4885NPC1 811/4885

“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.