SCHEMBL4837056

SCHEMBL4837056

COCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C(C)C)cc32)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.48
DRD2 P14416 7/20 0.48
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRM5 P08912 5/20 0.48
CHRM3 P20309 5/20 0.48
DRD1 P21728 5/20 0.48
ADRA1D P25100 4/20 0.48
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
ADRA1A P35348 4/20 0.48
HRH1 P35367 4/20 0.48
ADRA1B P35368 4/20 0.48
HTR2B P41595 4/20 0.48
KCNH2 Q12809 4/20 0.48
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
DRD4 P21917 3/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL4837066 1.00 CHRM1 (0.48) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL14528276 0.92 CHRM1 (0.47) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4843951 0.89 CHRM1 (0.37) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4843943 0.89 CHRM1 (0.37) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL14156723 0.89 CHRM1 (0.63) CHRM1DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4846129 0.88 CHRM1 (0.62) CHRM1DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4847048 0.88 CHRM1 (0.62) CHRM1DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4846113 0.88 CHRM1 (0.62) CHRM1DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4847060 0.88 CHRM1 (0.62) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4840387 0.86 CHRM1 (0.50) CHRM1DRD2CHRM2CHRM4CHRM5

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 6 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
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 CHRM1 302/4885DRD2 7/4885CHRM2 347/4885

“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.