SCHEMBL4840323

SCHEMBL4840323

COCC[C@H]1CN(C2=Nc3ccccc3Nc3ccc(C(C)C)cc32)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.45
DRD2 P14416 9/20 0.42
DRD4 P21917 5/20 0.42
DRD3 P35462 4/20 0.42
DRD1 P21728 6/20 0.39
KCNH2 Q12809 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRM5 P08912 5/20 0.39
CHRM3 P20309 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
MTOR P42345 1/20 0.39
HRH1 P35367 5/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
ADRA1D P25100 4/20 0.38
HTR2A P28223 4/20 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
SCHEMBL4840312 1.00 CHRM1 (0.45) CHRM1DRD2DRD4DRD3DRD1
SCHEMBL4840330 1.00 CHRM1 (0.45) CHRM1DRD2DRD4DRD3DRD1
SCHEMBL4843041 0.95 CHRM1 (0.44) CHRM1DRD2DRD4DRD3DRD1
SCHEMBL4843061 0.95 CHRM1 (0.44) CHRM1DRD2DRD4DRD3DRD1
SCHEMBL4843053 0.95 CHRM1 (0.44) CHRM1DRD2DRD4DRD3DRD1
SCHEMBL4846422 0.90 CHRM1 (0.47) CHRM1DRD2DRD1HRH1PAK1
SCHEMBL14163677 0.90 DRD2 (0.46) CHRM1DRD2DRD4DRD3DRD1
SCHEMBL4846434 0.90 CHRM1 (0.47) CHRM1DRD2DRD1HRH1PAK1
SCHEMBL4846426 0.90 CHRM1 (0.47) CHRM1DRD2DRD1HRH1PAK1
SCHEMBL4843260 0.89 CHRM1 (0.40) CHRM1DRD2DRD4DRD3DRD1

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
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP claimed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO claimed
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 CHRM1 302/4885DRD2 7/4885DRD4 27/4885

“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.