SCHEMBL3839255

SCHEMBL3839255

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.45
IDO1 P14902 3/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
TNKS O95271 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
SCHEMBL3843263 0.86 CRHR1 (0.49) CRHR1F2RL3TNKSHSD11B1
SCHEMBL3846409 0.79 CYP11B1 (0.45) CRHR1IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL3364854 0.78 CRHR1 (0.56) CRHR1HSD17B10F2RL3TNKSHSD11B1
SCHEMBL3364275 0.76 CRHR1 (0.58) CRHR1F2RL3TNKSHSD11B1
SCHEMBL13618061 0.76 CRHR1 (0.46) CRHR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3839128 0.76 CRHR1 (0.51) CRHR1HSD11B1
SCHEMBL3367923 0.75 CRHR1 (0.53) CRHR1F2RL3TNKSHSD11B1
SCHEMBL3399007 0.75 CRHR1 (0.53) CRHR1HSD17B10F2RL3TNKSHSD11B1
SCHEMBL8297373 0.75 CRHR1 (0.53) CRHR1HSD17B10F2RL3TNKSHSD11B1
SCHEMBL368235 0.75 CRHR1 (0.53) CRHR1F2RL3TNKSHSD11B1

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
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
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 96/4885IDO1 1872/4885CNR1 29/4885

“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.