SCHEMBL4844659

SCHEMBL4844659

Cc1ccc2c(C(=O)c3ccccn3)c(CCN(C)C)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 8/20 0.42
KCNH2 Q12809 6/20 0.42
CHRM1 P11229 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL4848844 0.88 HRH1 (0.54) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847748 0.87 HRH1 (0.44) HRH1NPC1MAPTRAB9AOPRK1
SCHEMBL14107009 0.84 HRH1 (0.57) HRH1CYP2D6KCNH2CHRM1
SCHEMBL6072710 0.75 HRH1 (0.51) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4850526 0.75 HRH1 (0.55) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847291 0.74 HRH1 (0.54) HRH1CYP2D6KCNH2CHRM1
SCHEMBL6072847 0.74 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4847815 0.74 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4846590 0.73 HRH1 (0.78) HRH1CYP2D6KCNH2CHRM1
SCHEMBL4846478 0.73 HRH1 (0.78) HRH1CYP2D6KCNH2CHRM1

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 7 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-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO 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 11/4885NPC1 648/4885MAPT 1830/4885

“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.