SCHEMBL5046735

SCHEMBL5046735

Cn1nc2c(c1S(C)(=O)=O)CCCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 8/20 0.35
CNR1 P21554 6/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34

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
SCHEMBL5039357 0.83 CRHR1 (0.38) CRHR1OPRM1CNR2CNR1TDP1
SCHEMBL5039336 0.82 CRHR1 (0.42) CRHR1OPRM1CNR2CNR1TDP1
SCHEMBL5048476 0.82 CRHR1 (0.38) CRHR1OPRM1CNR2CNR1CACNA2D1
SCHEMBL5048463 0.81 LMNA (0.38) CRHR1OPRM1CNR2CNR1CACNA2D1
SCHEMBL5039224 0.81 CRHR1 (0.37) CRHR1OPRM1CNR2CNR1CACNA2D1
SCHEMBL5044922 0.81 CRHR1 (0.38) CRHR1OPRM1CNR2CNR1CACNA2D1
SCHEMBL5044717 0.79 CRHR1 (0.39) CRHR1OPRM1FPR2PROKR1
SCHEMBL5044216 0.78 CNR2 (0.38) CRHR1CNR2CNR1
SCHEMBL5048815 0.78 CRHR1 (0.36) CRHR1OPRM1CNR2CNR1CACNA2D1
SCHEMBL5039786 0.78 CRHR1 (0.36) CRHR1OPRM1CNR2CNR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
EP-1718299-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-08 EP disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 US disclosed
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 CRHR1 71/4885OPRM1 61/4885ALDH1A1 545/4885

“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.