SCHEMBL6923306

SCHEMBL6923306

CN1CCn2c(nc3cc(-c4ccc(F)cc4)ccc3c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TRPV4 Q9HBA0 2/20 0.40
TGFBR1 P36897 1/20 0.40
CYP3A4 P08684 3/20 0.39
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6922377 0.90 LMNA (0.41) RAB9ANPC1LMNACYP2C19TRPV4
SCHEMBL6920773 0.89 LMNA (0.49) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL6921264 0.87 LMNA (0.53) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL9994512 0.85 RAB9A (0.41) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL6921266 0.82 RAB9A (0.50) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL12059389 0.80 RAB9A (0.45) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL6922253 0.80 RAB9A (0.63) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL12059176 0.80 CYP2C19 (0.46) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL6921733 0.80 HRH4 (0.46) RAB9ANPC1LMNACYP2C19ALDH1A1
SCHEMBL6920979 0.79 RAB9A (0.45) RAB9ANPC1LMNACYP2C19ALDH1A1

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 811/4885LMNA 4613/4885

“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.