SCHEMBL4836296

SCHEMBL4836296

NC1=Nc2ccccc2Nc2sccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
DRD2 P14416 5/20 0.38
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
DRD1 P21728 4/20 0.38
ADRA1D P25100 4/20 0.38
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
ADRA1A P35348 4/20 0.38
HRH1 P35367 4/20 0.38
ADRA1B P35368 4/20 0.38
HTR2B P41595 4/20 0.38
GAA P10253 3/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
KCNH2 Q12809 3/20 0.38

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
SCHEMBL14156690 0.79 MAPT (0.40) CHRM1HRH1GAAHTR5AMAPT
SCHEMBL14156626 0.79 DRD2 (0.38) LMNADRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4499431 0.79 DRD2 (0.35) LMNADRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4840178 0.78 DRD2 (0.38) LMNADRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4845892 0.78 MAPT (0.39) GAAHTR5AMAPTSMN1; SMN2TP53
SCHEMBL14156636 0.77
Hydrochloric Acid SCHEMBL4840864 0.76
SCHEMBL4204909 0.75 CYP1A2 (0.48) LMNADRD2CHRM1GAADRD4
Hydrochloric Acid SCHEMBL5557868 0.74 CYP1A2 (0.47) LMNADRD2CHRM1GAADRD4
SCHEMBL79367 0.74 DRD2 (0.58) LMNADRD2CHRM2CHRM4CHRM5

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
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 LMNA 3401/4885DRD2 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.