SCHEMBL6922751

SCHEMBL6922751

O=C1CCn2c(nc3cc(-c4cccc(F)c4)ccc3c2=O)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
BCHE P06276 1/20 0.40
CFTR P13569 1/20 0.40
ALOX15 P16050 1/20 0.40
ACHE P22303 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
GOPC Q9HD26 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6922405 0.92 RAB9A (0.41) PARP10PARP11RAB9ANPC1CYP1A2
SCHEMBL6921079 0.87 RAB9A (0.43) PARP10PARP11RAB9ANPC1CYP1A2
SCHEMBL6922869 0.85 GRM5 (0.44) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6921583 0.84 RAB9A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6923330 0.84 KDM4E (0.58) RAB9ANPC1CYP1A2ALDH1A1L3MBTL1
SCHEMBL6921643 0.83 MEN1 (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL12059077 0.83 RAB9A (0.42) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL12059799 0.81 BCL2A1 (0.39) PARP10PARP11RAB9ANPC1CYP1A2
SCHEMBL12058968 0.81 LMNA (0.47) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6920985 0.80 RAB9A (0.42) RAB9ANPC1CYP1A2CYP3A4CYP2C19

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 PARP10 3412/4885PARP11 3492/4885RAB9A 1387/4885

“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.