SCHEMBL3841771

SCHEMBL3841771

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1Cn1cnc(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.41
CD38 P28907 2/20 0.37
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
F2RL3 Q96RI0 1/20 0.35
KLKB1 P03952 3/20 0.35
TNKS O95271 1/20 0.35
KCNH2 Q12809 1/20 0.34
RIPK1 Q13546 1/20 0.34
MARS1 P56192 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL3840256 0.89 CRHR1 (0.43) CRHR1DPP4F2RL3RIPK1
SCHEMBL13617592 0.84 CRHR1 (0.38) CRHR1F2RL3KCNH2MARS1
SCHEMBL3842403 0.81 CRHR1 (0.37) CRHR1F2RL3RIPK1
SCHEMBL3843703 0.80 CRHR1 (0.38) CRHR1CD38DPP4DPP8F2RL3
SCHEMBL3845390 0.80 CRHR1 (0.38) CRHR1CD38DPP4DPP8F2RL3
SCHEMBL3367520 0.78 CRHR1 (0.43) CRHR1DPP4DPP8TNKS
SCHEMBL3841756 0.78 CRHR1 (0.43) CRHR1KCNH2
SCHEMBL3846201 0.78 CRHR1 (0.43) CRHR1KCNH2
SCHEMBL3364750 0.77 CRHR1 (0.48) CRHR1CD38DPP4DPP8F2RL3
SCHEMBL3364574 0.77 CRHR1 (0.50) 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 3 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
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 96/4885CD38 1596/4885DPP4 3627/4885

“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.