SCHEMBL12059151

SCHEMBL12059151

CN(C)CC1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
BCL2A1 Q16548 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6920969 0.91 GRM2 (0.37) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6921833 0.87 RAB9A (0.42) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6922247 0.87 KMT2A (0.40) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6920907 0.86 GRM5 (0.40) RAB9ANPC1L3MBTL1
SCHEMBL6922263 0.85 MAP4K4 (0.42) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6920741 0.84 RAB9A (0.41) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6921830 0.82 RAB9A (0.41) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6920796 0.82 SSTR2 (0.45) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6920820 0.82 RAB9A (0.43) RAB9ANPC1L3MBTL1KDM4ECYP1A2
SCHEMBL6921785 0.82 PIM1 (0.38) L3MBTL1CYP1A2CYP3A4BCL2A1

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 RAB9A 1387/4885NPC1 811/4885L3MBTL1 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.