SCHEMBL2977115

SCHEMBL2977115

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
F2RL1 P55085 2/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
ACHE P22303 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
APP P05067 1/20 0.33
MAOA P21397 2/20 0.33
ABHD6 Q9BV23 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP19A1 P11511 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
SCHEMBL2968176 0.85 MAOB (0.39) MAOBTP53CYP3A4CYP2D6MRGPRX4
SCHEMBL2653758 0.75 TAAR1 (0.38) TP53CYP3A4TSHRADRA2AADRA2B
SCHEMBL18217414 0.68 MAOB (0.47) MAOBTP53CYP3A4MRGPRX4ACHE
SCHEMBL11210106 0.68 MAOB (0.47) MAOBTP53CYP3A4MRGPRX4ACHE
SCHEMBL15914597 0.68 SLC1A2 (0.43) MAOBCYP2D6MAOA
SCHEMBL3978159 0.68 CYP3A4 (0.38) MAOBTP53CYP3A4F2RL1TSHR
SCHEMBL27984245 0.67 TAAR1 (0.44) MAOBCYP2D6TSHRADRA2AADRA2B
Trifluoroacetic Acid SCHEMBL6220279 0.67 ADRA2A (0.39) CYP3A4CYP2D6TSHRADRA2AADRA2B
SCHEMBL14886811 0.66 MAOB (0.42) MAOBTP53CYP3A4TSHRMRGPRX4
SCHEMBL10463711 0.66 TAAR1 (0.64) MAOBCYP2D6TSHRADRA2AADRA2B

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 164/4885TP53 4872/4885CYP3A4 628/4885

“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.