SCHEMBL4850682

SCHEMBL4850682

CN(C)CCc1sc2ccccc2c1Cc1cccc(O)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.61
CYP2D6 P10635 10/20 0.57
CHRM1 P11229 7/20 0.57
HTR2A P28223 1/20 0.57
KCNH2 Q12809 7/20 0.44
CYP3A4 P08684 3/20 0.44

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
SCHEMBL6073359 0.86 HRH1 (0.47) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4842386 0.81 HRH1 (0.76) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4851107 0.77 HRH1 (0.66) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4847813 0.76 HRH1 (1.00) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL6073265 0.74 HRH1 (0.61) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL6072764 0.74 HRH1 (0.65) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4850470 0.74 HRH1 (0.67) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4850242 0.74 HRH1 (0.79) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4850678 0.73 HRH1 (1.00) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL4853094 0.72 HRH1 (0.60) HRH1CYP2D6CHRM1HTR2AKCNH2

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 5 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 claimed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 US claimed
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO 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 83/4885CHRM1 1/4885

“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.