SCHEMBL6923183

SCHEMBL6923183

CN1CCCCC12Cc1nc3cc(-c4cccc(F)c4)ccc3c(=O)n1C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGFBR1 P36897 1/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C19 P33261 2/20 0.34
BCL2A1 Q16548 2/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
OTUD7B Q6GQQ9 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9994503 0.86 GRM5 (0.41)
SCHEMBL6922655 0.83 LMNA (0.39) RAB9ASMN1; SMN2NPC1LMNACYP2C19
SCHEMBL6922292 0.81 RAB9A (0.38) RAB9ASMN1; SMN2TGFBR1NPC1LMNA
SCHEMBL6921810 0.79 HDAC3 (0.35) RAB9ASMN1; SMN2NPC1CTSDOTUD7B
SCHEMBL6921870 0.78 RAB9A (0.40) RAB9ASMN1; SMN2NPC1LMNACYP2C19
SCHEMBL6920401 0.77 USP2 (0.38) CYP2C19BCL2A1CYP1A2CYP3A4OTUD7B
SCHEMBL6921643 0.76 MEN1 (0.57) RAB9ASMN1; SMN2NPC1LMNACYP2C19
SCHEMBL6920781 0.76 LMNA (0.48) RAB9ASMN1; SMN2NPC1LMNACYP2C19
SCHEMBL12059068 0.76 LMNA (0.50) RAB9ASMN1; SMN2NPC1LMNACYP2C19
SCHEMBL6923330 0.75 KDM4E (0.58) RAB9ASMN1; SMN2NPC1LMNACYP1A2

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 1387/4885SMN1; SMN2 636/4885TGFBR1 3543/4885

“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.