SCHEMBL6921785

SCHEMBL6921785

CN(C)CC1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
BCL2A1 Q16548 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CTSD P07339 3/20 0.35
BACE1 P56817 1/20 0.34
BRD4 O60885 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TGFBR1 P36897 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL12059016 0.87 L3MBTL1 (0.38) BCL2A1L3MBTL1GRM2CYP1A2CYP3A4
SCHEMBL12059514 0.86 BRD4 (0.38) BCL2A1L3MBTL1GRM2CYP1A2CYP3A4
SCHEMBL6920491 0.86 L3MBTL1 (0.36) BCL2A1L3MBTL1GRM2CYP1A2CYP3A4
SCHEMBL9995065 0.85 GRM5 (0.38)
SCHEMBL6920969 0.82 GRM2 (0.37) PIM1PIM2BCL2A1L3MBTL1GRM2
SCHEMBL12059151 0.82 RAB9A (0.38) BCL2A1L3MBTL1CYP1A2CYP3A4
SCHEMBL6921866 0.80 CACNA2D1 (0.37)
SCHEMBL6922383 0.79 L3MBTL1 (0.38) BCL2A1L3MBTL1GRM2CYP1A2CYP3A4
SCHEMBL6922345 0.78 HTR1A (0.41) L3MBTL1GRM2TNKS2
SCHEMBL6922263 0.76 MAP4K4 (0.42) L3MBTL1CYP1A2CYP3A4

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 PIM1 4672/4885PIM2 4701/4885BCL2A1 3768/4885

“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.