SCHEMBL4845462

SCHEMBL4845462

COCC[C@H]1CN(C2=Nc3cc(Cl)ccc3Nc3sccc32)CCN1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
CHRM1 P11229 4/20 0.48
DRD3 P35462 4/20 0.48
DRD4 P21917 4/20 0.48
DRD1 P21728 4/20 0.48
HRH4 Q9H3N8 2/20 0.48
CYP1A2 P05177 2/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CYP3A4 P08684 2/20 0.48
CHRM5 P08912 2/20 0.48
CYP2D6 P10635 2/20 0.48
CHRM3 P20309 2/20 0.48
KCNH2 Q12809 2/20 0.48
DRD5 P21918 2/20 0.48
HRH1 P35367 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
MEN1 O00255 1/20 0.48
CACNA1F O60840 1/20 0.48

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
SCHEMBL4845471 1.00 DRD2 (0.48) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4836502 0.95 DRD2 (0.46) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4836497 0.95 DRD2 (0.46) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL14528091 0.88 DRD2 (0.45) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4836301 0.88 DRD2 (0.50) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4836293 0.88 DRD2 (0.50) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4835650 0.87 CHRM1 (0.39) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4835632 0.87 CHRM1 (0.39) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4840562 0.87 CHRM1 (0.48) DRD2CHRM1DRD3DRD4DRD1
SCHEMBL4840573 0.87 CHRM1 (0.48) DRD2CHRM1DRD3DRD4DRD1

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 DRD2 7/4885CHRM1 302/4885DRD3 21/4885

“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.