SCHEMBL4847609

SCHEMBL4847609

C[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 1.00
KCNH2 Q12809 10/20 1.00
CYP2D6 P10635 10/20 0.96
CHRM1 P11229 8/20 0.96
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM3 P20309 2/20 0.49

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
SCHEMBL4852821 1.00 HRH1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL4852885 1.00 HRH1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL4847863 0.98 HRH1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL4849115 0.98 HRH1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL4843476 0.98 HRH1 (1.00) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL4850629 0.90 HRH1 (0.82) HRH1KCNH2CYP2D6CHRM1CHRM2
SCHEMBL4852437 0.89 HRH1 (0.80) HRH1KCNH2CYP2D6CHRM1
SCHEMBL4845900 0.86 HRH1 (0.76) HRH1KCNH2CYP2D6CHRM1
SCHEMBL4849485 0.86 HRH1 (0.76) HRH1KCNH2CYP2D6CHRM1
SCHEMBL4847305 0.86 HRH1 (0.74) HRH1KCNH2CYP2D6CHRM1CHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US claimed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO claimed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 US claimed
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 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-20060014797-A1 Sleep inducing compounds and methods relating thereto CHRM1, CNR1, HRH3 HRH1 11/4885KCNH2 1979/4885CYP2D6 83/4885

“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.