SCHEMBL3539694

SCHEMBL3539694

[CH]=CC(=O)N(C)C1CCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.40
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PYGL P06737 1/20 0.34

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
SCHEMBL2660132 0.89 ALDH1A1 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3539696 0.83 MCHR1 (0.40) MCHR1HRH3
SCHEMBL856650 0.78 MCHR1 (0.43) MCHR1HRH3
SCHEMBL8272498 0.78 MCHR1 (0.43) MCHR1HRH3
SCHEMBL8272497 0.78 MCHR1 (0.43) MCHR1HRH3
SCHEMBL799469 0.78 MCHR1 (0.43) MCHR1HRH3
SCHEMBL4546651 0.77 MCHR1 (0.46) MCHR1
SCHEMBL13954231 0.77 MCHR1 (0.46) MCHR1
SCHEMBL21592980 0.77 MCHR1 (0.42) MCHR1HRH3
SCHEMBL3937932 0.77 MCHR1 (0.42) MCHR1HRH3PYGL

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-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 MCHR1 328/4885HRH3 654/4885DRD2 814/4885

“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.