SCHEMBL4842333

SCHEMBL4842333

COC1CN(CCc2sc3ccccc3c2[C@@H](C)c2ccccn2)C1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.73
CYP2D6 P10635 12/20 0.73
KCNH2 Q12809 12/20 0.73
CHRM1 P11229 6/20 0.73

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
SCHEMBL4849485 0.88 HRH1 (0.76) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4845900 0.88 HRH1 (0.76) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4848568 0.86 HRH1 (0.61) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847763 0.85 HRH1 (0.66) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847041 0.85 HRH1 (0.66) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4844258 0.85 HRH1 (0.63) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4851410 0.85 HRH1 (0.62) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4849115 0.84 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4852437 0.84 HRH1 (0.80) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847609 0.84 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1

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-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 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-20060014797-A1 Sleep inducing compounds and methods relating thereto CHRM1, CNR1, HRH3 HRH1 11/4885CYP2D6 83/4885KCNH2 1979/4885

“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.