SCHEMBL6921080

SCHEMBL6921080

CC1(C)CCc2nc3nc(-c4ccccn4)ccc3c(=O)n2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 4/20 0.35
ALOX15 P16050 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
BRD4 O60885 2/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL6922667 0.83 KDM4E (0.36) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL14239417 0.82 RAB9A (0.41) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL14239933 0.81 RAB9A (0.40) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL6921096 0.81 GRM5 (0.43) NPC1RAB9ATDP1CYP1A2POLB
SCHEMBL6922413 0.81 NPC1 (0.43) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL14239415 0.81 RAB9A (0.41) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL14238894 0.80 BRD4 (0.32) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL14239413 0.80 NPC1 (0.42) KDM4ENPC1RAB9ALMNAALOX15
SCHEMBL14239995 0.80 BRD4 (0.36) NPC1RAB9ALMNATDP1TP53
SCHEMBL15834989 0.79 RAB9A (0.40) KDM4ENPC1RAB9ALMNAALOX15

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 2003/4885NPC1 811/4885RAB9A 1387/4885

“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.