SCHEMBL5564352

SCHEMBL5564352

CC(C)(C)c1cc2c(s1)Nc1ccccc1N=C2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
CHRM1 P11229 6/20 0.41
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRM5 P08912 4/20 0.41
CHRM3 P20309 4/20 0.41
DRD1 P21728 4/20 0.41
ADRA1D P25100 4/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
ADRA1A P35348 4/20 0.41
HRH1 P35367 4/20 0.41
ADRA1B P35368 4/20 0.41
HTR2B P41595 4/20 0.41
LMNA P02545 4/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
KCNH2 Q12809 3/20 0.41
GAA P10253 3/20 0.41

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
Hydrochloric Acid SCHEMBL4846674 0.99 DRD2 (0.40) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL79367 0.82 DRD2 (0.58) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL937256 0.81 DRD2 (0.57) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL30040103 0.81 DRD2 (0.57) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4847359 0.77 DRD2 (0.40) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5557703 0.76 CHRM1 (0.74) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL4204909 0.72 CYP1A2 (0.48) DRD2CHRM1LMNAGAADRD4
Hydrochloric Acid SCHEMBL5557868 0.71 CYP1A2 (0.47) DRD2CHRM1LMNAGAADRD4
SCHEMBL4836296 0.71 LMNA (0.38) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL14156597 0.68 LMNA (0.44) DRD2CHRM1DRD1LMNAGAA

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
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 DRD2 3/4885CHRM1 203/4885CHRM2 186/4885

“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.