SCHEMBL2968176

SCHEMBL2968176

CC(OCc1cccc(N)c1)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ABHD6 Q9BV23 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRB2 P07550 4/20 0.35
CYP2D6 P10635 1/20 0.34
MAOA P21397 2/20 0.34
APP P05067 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
ACHE P22303 1/20 0.34
CYP19A1 P11511 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
SCHEMBL2977115 0.85 MAOB (0.38) MAOBADRA2AADRA2BADRA2CABHD6
SCHEMBL27984245 0.83 TAAR1 (0.44) MAOBADRA2AADRA2BADRA2CCYP2D6
SCHEMBL11210106 0.76 MAOB (0.47) MAOBABHD6TP53CYP3A4ADRB2
SCHEMBL2977768 0.74 TAAR1 (0.42) ADRA2AADRA2BADRA2CTP53CYP3A4
SCHEMBL2976805 0.73 PRKCI (0.44)
SCHEMBL18217414 0.73 MAOB (0.47) MAOBABHD6TP53CYP3A4ADRB2
SCHEMBL2659958 0.71 PRKCI (0.35)
SCHEMBL14886811 0.71 MAOB (0.42) MAOBABHD6TP53CYP3A4ADRB2
Trifluoroacetic Acid SCHEMBL6220279 0.71 ADRA2A (0.39) ADRA2AADRA2BADRA2CCYP3A4ADRB2
SCHEMBL14752978 0.70 TXN (0.39) ADRA2AADRA2BADRA2CCYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 MAOB 164/4885ADRA2A 126/4885ADRA2B 112/4885

“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.