SCHEMBL6922860

SCHEMBL6922860

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CCN(C1CCOC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
RAB9A P51151 7/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
BCHE P06276 1/20 0.35
CFTR P13569 1/20 0.35
ALOX15 P16050 1/20 0.35
ACHE P22303 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GOPC Q9HD26 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 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
SCHEMBL12059605 0.88 KDM2B (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL9994516 0.87 GRM5 (0.53) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
Acetonitrile SCHEMBL16245220 0.83 GRM5 (0.49) GRM5RAB9ANPC1L3MBTL1CYP1A2
SCHEMBL12058968 0.78 LMNA (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6923330 0.78 KDM4E (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6921979 0.77 PRKDC (0.39) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6921643 0.77 MEN1 (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6921830 0.77 RAB9A (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6920820 0.77 RAB9A (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6920741 0.77 RAB9A (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA

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 GRM5 1/4885RAB9A 1387/4885NPC1 811/4885

“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.