SCHEMBL6279543

SCHEMBL6279543

COc1nccnc1C(C)C1=C(CCN(C)C)Cc2cc(C)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 1.00
CYP2D6 P10635 15/20 1.00
KCNH2 Q12809 13/20 1.00
HRH2 P25021 1/20 0.80
CHRM1 P11229 11/20 0.76
CHRM2 P08172 7/20 0.63
CHRM4 P08173 7/20 0.63
CHRM5 P08912 7/20 0.63
CHRM3 P20309 7/20 0.63
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6272325 0.89 HRH1 (0.80) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6275530 0.89 HRH1 (1.00) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6417406 0.86 HRH1 (0.75) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6414644 0.84 HRH1 (0.72) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6279449 0.80 HRH1 (0.84) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6276113 0.79 HRH1 (0.82) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6266812 0.79 HRH1 (0.81) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6416310 0.79 CYP2D6 (0.65) HRH1CYP2D6KCNH2HRH2CHRM1
SCHEMBL6416790 0.79 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6280226 0.78 CYP2D6 (0.63) HRH1CYP2D6KCNH2HRH2CHRM1

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.