SCHEMBL6922292

SCHEMBL6922292

CC1(C)CCn2c(nc3cc(-c4cccc(F)c4)ccc3c2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
GRM5 P41594 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BCL2A1 Q16548 1/20 0.37
TGFBR1 P36897 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GOPC Q9HD26 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
SCHEMBL6923061 0.84 GRM5 (0.53) GRM5
SCHEMBL6921870 0.83 RAB9A (0.40) RAB9ANPC1TNKS2HSD11B1SMN1; SMN2
SCHEMBL6923330 0.82 KDM4E (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6922377 0.82 LMNA (0.41) RAB9ANPC1TNKS2SMN1; SMN2BCL2A1
SCHEMBL6921643 0.81 MEN1 (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6922755 0.81 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL12058968 0.81 LMNA (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6922655 0.81 LMNA (0.39) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6923183 0.81 RAB9A (0.35) RAB9ANPC1SMN1; SMN2BCL2A1TGFBR1
SCHEMBL6920401 0.81 USP2 (0.38) TNKS2BCL2A1USP2ALDH1A1CYP1A2

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 RAB9A 1387/4885NPC1 811/4885GRM5 1/4885

“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.