SCHEMBL13617633

SCHEMBL13617633

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.41
ALPL P05186 5/20 0.36
HSD11B1 P28845 3/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
CCNB2 O95067 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDK1 P06493 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 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
SCHEMBL3843248 0.84 CRHR1 (0.42) CRHR1ALPLGSK3AGSK3BSMN1; SMN2
SCHEMBL3839365 0.84 CRHR1 (0.41) CRHR1ALPLGSK3AGSK3BSMN1; SMN2
SCHEMBL3367536 0.81 CRHR1 (0.49) CRHR1ALPLHSD11B1MAPK1KDM4E
SCHEMBL14206630 0.81 CRHR1 (0.49) CRHR1HSD11B1MAPTMAPK1KMT2A
SCHEMBL3364750 0.80 CRHR1 (0.48) CRHR1HSD11B1MAPTMAPK1KDM4E
SCHEMBL3846212 0.79 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL3367441 0.78 CRHR1 (0.47) CRHR1ALPLLMNACYP1A2CYP2C19
SCHEMBL3367449 0.78 CRHR1 (0.46) CRHR1ALPLHSD11B1MEN1MAPT
SCHEMBL3364408 0.78 CRHR1 (0.46) CRHR1LMNAMAPTHTTALDH1A1
SCHEMBL14377980 0.78 CRHR1 (0.41) CRHR1SMN1; SMN2HTTF2RL3

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 CRHR1 96/4885ALPL 4323/4885HSD11B1 480/4885

“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.