SCHEMBL6923595

SCHEMBL6923595

C=CCN1CCn2c(nc3cc(-c4cccc(F)c4)ccc3c2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
BCL2A1 Q16548 9/20 0.40
BID P55957 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6921555 0.91 BCL2A1 (0.39) BCL2A1BIDALDH1A1NPC1RAB9A
SCHEMBL9994269 0.85 GRM2 (0.39) GRM2ALDH1A1GFER
SCHEMBL6921795 0.85 GRM2 (0.46) GRM2BCL2A1NPC1RAB9A
SCHEMBL6922267 0.84 GRM2 (0.48) GRM2BCL2A1BIDALDH1A1
SCHEMBL6920958 0.83 GRM2 (0.45) GRM2BCL2A1
SCHEMBL6923042 0.83 RAB9A (0.39) GRM2BCL2A1NPC1RAB9A
SCHEMBL6922513 0.82 RXFP1 (0.45) GRM2ALDH1A1RAB9A
SCHEMBL6922377 0.81 LMNA (0.41) GRM2BCL2A1NPC1RAB9A
SCHEMBL6923721 0.80 NPC1 (0.40) GRM2ALDH1A1NPC1RAB9A
SCHEMBL6923330 0.77 KDM4E (0.58) ALDH1A1NPC1RAB9A

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 GRM2 2/4885BCL2A1 3768/4885BID 2219/4885

“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.