SCHEMBL6276908

SCHEMBL6276908

CC(C1=C(CCN(C)C)Cc2ccccc21)c1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 1.00
CYP2D6 P10635 15/20 1.00
KCNH2 Q12809 5/20 1.00
CHRM1 P11229 4/20 1.00
CYP3A4 P08684 8/20 0.77
CHRM2 P08172 3/20 0.77
CHRM4 P08173 3/20 0.77
CHRM5 P08912 3/20 0.77
CHRM3 P20309 3/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
TSHR P16473 1/20 0.77
CYP2C19 P33261 1/20 0.77
HTR1A P08908 1/20 0.77
ADRA2A P08913 1/20 0.77
DRD1 P21728 1/20 0.77
PTGS1 P23219 1/20 0.77
SLC6A2 P23975 1/20 0.77
SLC6A4 P31645 1/20 0.77
ADRA1A P35348 1/20 0.77

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
SCHEMBL6278192 0.89 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL6279444 0.89 HRH1 (0.81) HRH1CYP2D6KCNH2CHRM1CYP3A4
Dimethindene SCHEMBL30436315 0.87 CHRM1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
Dimethindene SCHEMBL18759 0.87 CHRM1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
(S)-(+)-Dimethindene SCHEMBL30910954 0.87 CHRM1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
Dimethindene SCHEMBL29676184 0.87 CHRM1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
Dimethindene SCHEMBL19284560 0.87 CHRM1 (1.00) HRH1CYP2D6KCNH2CHRM1CHRM2
SCHEMBL6416790 0.85 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL6279164 0.83 HRH1 (1.00) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL6414581 0.82 HRH1 (0.74) HRH1CYP2D6KCNH2CHRM1CYP3A4

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.