SCHEMBL3839291

SCHEMBL3839291

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1Cn1nnnc1CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.37
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 3/20 0.33
MARS1 P56192 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CNKSR1 Q969H4 1/20 0.32
CD38 P28907 1/20 0.32

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
SCHEMBL3843300 0.88 SMN1; SMN2 (0.37) CRHR1ALDH1A1POLB
SCHEMBL3839759 0.86 CRHR1 (0.39) CRHR1POLBHSD11B1MARS1
SCHEMBL3843615 0.81 CRHR1 (0.40) CRHR1POLBHSD11B1MARS1CNKSR1
SCHEMBL3844049 0.80 CRHR1 (0.41) CRHR1ALDH1A1POLBHSD11B1CNKSR1
SCHEMBL3843569 0.79 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL3843991 0.78 CRHR1 (0.38) CRHR1ALDH1A1POLBHSD11B1KMT2A
SCHEMBL3843703 0.78 CRHR1 (0.38) CRHR1DPP4DPP8MARS1CD38
SCHEMBL3367520 0.76 CRHR1 (0.43) CRHR1DPP4DPP8HTT
SCHEMBL3841771 0.75 CRHR1 (0.41) CRHR1DPP4DPP8MARS1CD38
SCHEMBL3364750 0.75 CRHR1 (0.48) CRHR1ALDH1A1DPP4DPP8HSD11B1

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 96/4885ALDH1A1 543/4885POLB 4713/4885

“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.