SCHEMBL6415321

SCHEMBL6415321

OC1CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.82
CYP2D6 P10635 16/20 0.82
CYP3A4 P08684 3/20 0.68
KCNH2 Q12809 5/20 0.58
CHRM1 P11229 3/20 0.58
HTR2A P28223 1/20 0.58
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43

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
SCHEMBL6266110 0.90 HRH1 (1.00) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6270302 0.82 HRH1 (0.80) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6272510 0.82 HRH1 (0.85) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6278512 0.79 HRH1 (0.60) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6270161 0.76 HRH1 (0.84) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6278779 0.73 HRH1 (1.00) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6418578 0.73 HRH1 (0.70) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6276773 0.72 HRH1 (1.00) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6279151 0.70 HRH1 (0.64) HRH1CYP2D6CYP3A4KCNH2CHRM1
SCHEMBL6272284 0.70 HRH1 (0.66) HRH1CYP2D6CYP3A4KCNH2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277645-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-15 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-20050277645-A1 Sleep inducing compounds and methods relating thereto CNR1, CNR2, MTNR1B HRH1 104/4885CYP2D6 74/4885CYP3A4 20/4885

“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.