SCHEMBL6280294

SCHEMBL6280294

COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)n1ccnn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.59
CYP2D6 P10635 11/20 0.59
CHRM1 P11229 11/20 0.59
KCNH2 Q12809 10/20 0.59
CHRM2 P08172 9/20 0.59
CHRM4 P08173 9/20 0.59
CHRM5 P08912 9/20 0.59
CHRM3 P20309 9/20 0.59
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6420947 0.86 CHRM1 (0.57) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6419953 0.86 CHRM1 (0.62) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6420061 0.85 HRH1 (0.57) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6279358 0.83 CHRM1 (0.57) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6415652 0.76 CHRM1 (0.76) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6266812 0.74 HRH1 (0.81) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6420676 0.73 HRH1 (1.00) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6279164 0.73 HRH1 (1.00) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6280343 0.72 CHRM1 (0.60) HRH1CYP2D6CHRM1KCNH2CHRM2
SCHEMBL6415984 0.71 HRH1 (0.57) HRH1CYP2D6CHRM1KCNH2CHRM2

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-20050277645-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-15 US disclosed
WO-2005097093-A1 SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 WO 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 74/4885CHRM1 12/4885

“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.