SCHEMBL6922377

SCHEMBL6922377

CN1CCn2c(nc3cc(-c4cccc(F)c4)ccc3c2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 1/20 0.41
TGFBR1 P36897 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GRM2 Q14416 1/20 0.38
BCL2A1 Q16548 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL12058968 0.90 LMNA (0.47) LMNACYP2C19HRH4RAB9ANPC1
SCHEMBL6923306 0.90 RAB9A (0.43) LMNACYP2C19MAOBTGFBR1HRH4
SCHEMBL12059068 0.88 LMNA (0.50) LMNACYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL6920958 0.84 GRM2 (0.45) TGFBR1GRM2BCL2A1
SCHEMBL6921795 0.84 GRM2 (0.46) RAB9ANPC1GRM2BCL2A1SMN1; SMN2
SCHEMBL6922513 0.84 RXFP1 (0.45) LMNACYP2C19RAB9AGRM2SMN1; SMN2
SCHEMBL6920781 0.84 LMNA (0.48) LMNACYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL6923346 0.84 GRM5 (0.42) LMNACYP2C19MAOB
SCHEMBL6923330 0.82 KDM4E (0.58) LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6923502 0.82 BCL2A1 (0.37) MAOBRAB9ANPC1GRM2BCL2A1

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 LMNA 4613/4885CYP2C19 4711/4885MAOB 2195/4885

“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.