SCHEMBL4843582

SCHEMBL4843582

COCC[C@H]1CN(C2=Nc3cc(F)c(F)cc3Nc3ccc(C(F)(F)F)cc32)CCN1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.37
HRH1 P35367 1/20 0.37
PAK1 Q13153 1/20 0.37
DRD2 P14416 5/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
DRD1 P21728 3/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM3 P20309 1/20 0.32
MTOR P42345 1/20 0.32
KCNH2 Q12809 1/20 0.32
PRKCQ Q04759 1/20 0.32

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
SCHEMBL4843575 1.00 CHRM1 (0.37) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4843591 1.00 CHRM1 (0.37) CHRM1HRH1PAK1DRD2DRD4
Succinic Acid SCHEMBL4844232 0.94 CHRM1 (0.34) CHRM1HRH1PAK1DRD2DRD4
Succinic Acid SCHEMBL4844238 0.94 CHRM1 (0.34) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL5245928 0.92 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL5245926 0.92 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL5245924 0.92 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL14528495 0.91 CHRM1 (0.40) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4843620 0.89 DRD2 (0.46) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4843607 0.89 DRD2 (0.46) CHRM1HRH1PAK1DRD2DRD4

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 3 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

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 302/4885HRH1 570/4885PAK1 1696/4885

“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.