SCHEMBL5558324

SCHEMBL5558324

CC(C)c1nc2c(s1)Nc1ccccc1N=C2N1CCN(C)[C@@H](CCc2cccc(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
CHRM3 P20309 3/20 0.37
DRD1 P21728 3/20 0.37
ADRA1D P25100 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
ADRA1A P35348 3/20 0.37
HRH1 P35367 3/20 0.37
ADRA1B P35368 3/20 0.37
HTR2B P41595 3/20 0.37
KCNH2 Q12809 3/20 0.37
DRD4 P21917 2/20 0.37
HTR3E A5X5Y0 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
Hydrochloric Acid SCHEMBL5558828 0.99 DRD2 (0.37) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5558826 0.99 DRD2 (0.37) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5562355 0.91 DRD2 (0.37) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5557876 0.91 CHRM1 (0.39) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5557791 0.91 DRD2 (0.36) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5557797 0.91 DRD2 (0.36) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5557723 0.90 CHRM1 (0.38) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5557713 0.90 CHRM1 (0.38) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL14365128 0.90 DRD2 (0.41) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5557429 0.89 DRD2 (0.40) DRD2CHRM1CHRM2CHRM4CHRM5

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
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 claimed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US claimed
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

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.