SCHEMBL6416339

SCHEMBL6416339

COc1ccc2c(c1)CC(CCN(C)CCO)=C2C(C)c1nccs1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.82
KCNH2 Q12809 12/20 0.82
CYP2D6 P10635 12/20 0.82
CHRM1 P11229 10/20 0.61
CHRM2 P08172 6/20 0.55
CHRM4 P08173 6/20 0.55
CHRM5 P08912 6/20 0.55
CHRM3 P20309 6/20 0.55
HRH2 P25021 1/20 0.44
CYP3A4 P08684 2/20 0.41

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
SCHEMBL6276490 0.91 HRH1 (0.82) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6420676 0.90 HRH1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6271755 0.85 HRH1 (0.90) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6276734 0.84 HRH1 (0.80) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6416784 0.80 CYP2D6 (0.69) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6420661 0.77 CYP2D6 (0.64) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6418616 0.76 HRH1 (0.79) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6418786 0.74 HRH1 (0.80) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6266812 0.73 HRH1 (0.81) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL6276615 0.73 CHRM1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2

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 104/4885KCNH2 1127/4885CYP2D6 74/4885

“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.