SCHEMBL6420957

SCHEMBL6420957

COc1nccnc1CC1=C(CCN2CC=CC2)Cc2cc(C)ccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.58
CYP2D6 P10635 18/20 0.58
KCNH2 Q12809 11/20 0.56
CHRM1 P11229 3/20 0.56
HRH2 P25021 1/20 0.38
CYP3A4 P08684 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 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
SCHEMBL6270433 0.92 HRH1 (0.48) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6271155 0.90 HRH1 (0.72) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6416305 0.90 HRH1 (0.58) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6268835 0.87 HRH1 (0.69) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL6267611 0.86 HRH1 (0.54) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6272308 0.82 HRH1 (0.61) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6272772 0.82 CYP2D6 (0.48) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6414644 0.80 HRH1 (0.72) HRH1CYP2D6KCNH2CHRM1HRH2
SCHEMBL6272268 0.78 HRH1 (0.57) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL6270110 0.78 CYP2D6 (0.47) HRH1CYP2D6KCNH2CHRM1HRH2

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 74/4885KCNH2 1127/4885

“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.