SCHEMBL3846409

SCHEMBL3846409

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1Cn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRHR1 P34998 6/20 0.43
CYP19A1 P11511 3/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
TBXAS1 P24557 1/20 0.40
ADRA2C P18825 1/20 0.39
IDO1 P14902 1/20 0.39
CYP27B1 O15528 1/20 0.38
CYP24A1 Q07973 1/20 0.38

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
SCHEMBL3839766 0.82 CRHR1 (0.46) CRHR1
SCHEMBL3843006 0.82 CRHR1 (0.44) CRHR1
SCHEMBL3844096 0.81 CRHR1 (0.43) CYP3A4CYP2C9CYP2C19CRHR1CYP19A1
SCHEMBL3846201 0.81 CRHR1 (0.43) CRHR1CYP19A1
SCHEMBL3839128 0.81 CRHR1 (0.51) CRHR1
SCHEMBL3364753 0.79 CRHR1 (0.50) CRHR1
SCHEMBL3364574 0.79 CRHR1 (0.50) CRHR1
SCHEMBL3839255 0.79 CRHR1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3841756 0.79 CRHR1 (0.43) CRHR1
SCHEMBL3364556 0.78 CRHR1 (0.49) CRHR1

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-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
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 CYP11B1 201/4885CYP11B2 179/4885CYP1A2 148/4885

“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.