SCHEMBL13617434

SCHEMBL13617434

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.47
ALPG P10696 1/20 0.47
CRHR1 P34998 6/20 0.42
CNR2 P34972 1/20 0.42
CNR1 P21554 5/20 0.40
GALR3 O60755 1/20 0.39
LMNA P02545 1/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3846236 0.87 CRHR1 (0.45) ALPLCRHR1CNR2CNR1RAB9A
SCHEMBL3364408 0.86 CRHR1 (0.46) CRHR1CNR1LMNARAB9ANPSR1
SCHEMBL13538501 0.85 CHRM1 (0.42) CRHR1CNR2CNR1RAB9AKMT2A
SCHEMBL3367536 0.82 CRHR1 (0.49) ALPLCRHR1CNR1
SCHEMBL14206630 0.82 CRHR1 (0.49) CRHR1CNR2CNR1KMT2A
SCHEMBL3367441 0.81 CRHR1 (0.47) ALPLCRHR1CNR1LMNANPSR1
SCHEMBL3364750 0.81 CRHR1 (0.48) CRHR1
SCHEMBL3367449 0.79 CRHR1 (0.46) ALPLCRHR1CNR1KMT2A
SCHEMBL3364027 0.79 ALPL (0.47) ALPLCRHR1CNR2CNR1
SCHEMBL3363668 0.78 CRHR1 (0.41) ALPLALPGCRHR1CNR1SMN1; SMN2

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
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US 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-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA1, GABRA2, GABRA3 ALPL 4323/4885ALPG 2722/4885CRHR1 96/4885

“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.