SCHEMBL6921870

SCHEMBL6921870

CC1(C)CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HSD11B1 P28845 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL14239050 0.92 RAB9A (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239358 0.91 RAB9A (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239132 0.90 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14238841 0.89 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL14239052 0.88 CYP11B2 (0.40) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL14239053 0.88 L3MBTL1 (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1APOBEC3A
SCHEMBL14239051 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14239054 0.86 RAB9A (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14238834 0.85 TDP1 (0.48) L3MBTL1ALDH1A1
SCHEMBL14239376 0.85 L3MBTL1 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1APOBEC3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed
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 RAB9A 1387/4885NPC1 811/4885SMN1; SMN2 636/4885

“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.