SCHEMBL4838852

SCHEMBL4838852

CSC1=Nc2ccccc2Nc2sc(C(C)C)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
DRD2 P14416 4/20 0.33
CHRM3 P20309 4/20 0.33
DRD1 P21728 4/20 0.33
ADRA1D P25100 4/20 0.33
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
ADRA1A P35348 4/20 0.33
HRH1 P35367 4/20 0.33
ADRA1B P35368 4/20 0.33
HTR2B P41595 4/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
KCNH2 Q12809 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL5563767 0.82 LMNA (0.36) CHRM2CHRM4CHRM5CHRM1DRD2
Hydrochloric Acid SCHEMBL4845848 0.81 GAA (0.36) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL14163670 0.79 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL4843841 0.72 TLR8 (0.32) ALDH1A1
SCHEMBL14528162 0.70 CHRM1 (0.44) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL14528160 0.69 MEN1 (0.31) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4836374 0.67 DRD2 (0.39) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL12195999 0.67 DRD2 (0.48) CHRM1DRD2GAALMNAMEN1
SCHEMBL4835560 0.66 DRD2 (0.40) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL4847080 0.66 CHRM1 (0.44) CHRM2CHRM4CHRM5CHRM1DRD2

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-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
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO 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 CHRM2 347/4885CHRM4 509/4885CHRM5 341/4885

“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.