SCHEMBL6923586

SCHEMBL6923586

CC(=O)N1CCc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCL2A1 Q16548 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6922545 0.87 BCL2A1 (0.41) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL9995135 0.85 ALDH1A1 (0.42) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL12058968 0.85 LMNA (0.47) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL6923330 0.82 KDM4E (0.58) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6921643 0.82 MEN1 (0.57) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL12059068 0.81 LMNA (0.50) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL12059798 0.81 KDM4E (0.43) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL6920781 0.81 LMNA (0.48) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL6922562 0.81 RAB9A (0.42) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL6922522 0.81 NPC1 (0.48) ALDH1A1LMNACYP2C19RAB9ANPC1

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 ALDH1A1 1721/4885LMNA 4613/4885CYP2C19 4711/4885

“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.