SCHEMBL3364045

SCHEMBL3364045

CC(=O)Nc1c(C)ccnc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.48
CNR2 P34972 12/20 0.48
EGFR P00533 1/20 0.45
ALOX5 P09917 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GABRA1 P14867 1/20 0.45
ADRA2C P18825 1/20 0.45
MAPK3 P27361 1/20 0.45
OPRL1 P41146 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SLC18A2 Q05940 1/20 0.45
MAPK14 Q16539 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL14206717 0.75 CNR1 (0.44) CNR1CNR2EGFRALOX5ADORA3
SCHEMBL16919139 0.71 ALDH1A1 (0.49) PIK3C3L3MBTL1KDM4EHSD17B10
SCHEMBL10394083 0.70 MAPK14 (0.46) ADORA3MAPK14KDM4E
SCHEMBL5847190 0.69 L3MBTL1 (0.48) L3MBTL1NPC1
SCHEMBL6614352 0.69 CNR1 (0.45) CNR1CNR2EGFRALOX5ADORA3
SCHEMBL19475136 0.69 GAA (0.45) PIK3C3L3MBTL1KDM4EHSD17B10
SCHEMBL2467013 0.68 CNR1 (0.46) CNR1CNR2EGFRALOX5ADORA3
SCHEMBL10892245 0.67 RAPGEF4 (0.52) LMNAHTTSMN1; SMN2L3MBTL1HSD17B10
SCHEMBL26488151 0.66 PARP14 (0.57) CNR1CNR2LMNASMN1; SMN2KDM4E
SCHEMBL6352059 0.66 TSHR (0.51) CNR1CNR2SMN1; SMN2L3MBTL1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 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-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 CNR1 21/4885CNR2 9/4885EGFR 4100/4885

“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.