SCHEMBL2653758

SCHEMBL2653758

CCC(OCc1ncc[nH]1)c1cccc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.38
HTR1A P08908 1/20 0.38
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL2977768 0.85 TAAR1 (0.42) TAAR1HTR1ATP53CYP3A4HRH4
SCHEMBL2977115 0.75 MAOB (0.38) TP53CYP3A4ADRA2AADRA2BADRA2C
SCHEMBL11208105 0.70 AOC3 (0.45) TP53CYP3A4TSHR
SCHEMBL12590300 0.66 TAAR1 (0.45) TAAR1HTR1A
SCHEMBL10463711 0.66 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL11102854 0.66 TAAR1 (0.37) TAAR1HTR1A
SCHEMBL26786766 0.66 TAAR1 (0.43) TAAR1HRH4TSHR
SCHEMBL26789951 0.66 TAAR1 (0.43) TAAR1HRH4TSHR
SCHEMBL7462548 0.65 MAPT (0.54) TAAR1HTR1ATSHR
SCHEMBL28290500 0.65 TAAR1 (0.40) TAAR1HTR1ATSHR

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 4 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
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO 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 TAAR1 142/4885HTR1A 147/4885TP53 4872/4885

“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.