SCHEMBL6279164

SCHEMBL6279164

COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 1.00
CYP2D6 P10635 14/20 1.00
KCNH2 Q12809 8/20 1.00
CHRM1 P11229 6/20 0.76
CHRM2 P08172 5/20 0.76
CHRM4 P08173 5/20 0.76
CHRM5 P08912 5/20 0.76
CHRM3 P20309 5/20 0.76
CYP3A4 P08684 2/20 0.56
HRH2 P25021 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL6277629 0.90 HRH1 (0.82) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6416790 0.86 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6415600 0.84 HRH1 (0.72) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6267850 0.83 HRH1 (0.71) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6414581 0.83 HRH1 (0.74) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6276908 0.83 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6266812 0.82 HRH1 (0.81) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6415652 0.82 CHRM1 (0.76) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6420676 0.80 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6414087 0.80 HRH1 (0.66) HRH1CYP2D6KCNH2CHRM1CHRM2

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 claimed
WO-2005097093-A1 SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 WO claimed

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.