SCHEMBL4846422

SCHEMBL4846422

COCC[C@H]1CN(C2=Nc3cc(F)ccc3Nc3ccc(C(C)C)cc32)CCN1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
HRH1 P35367 1/20 0.47
PAK1 Q13153 1/20 0.47
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL4846426 1.00 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL4846434 1.00 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL4843260 0.94 CHRM1 (0.40) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL4843269 0.94 CHRM1 (0.40) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL4843273 0.94 CHRM1 (0.40) CHRM1HRH1PAK1DRD2DRD1
Succinic Acid SCHEMBL4836311 0.94 CHRM1 (0.42) CHRM1HRH1PAK1
Succinic Acid SCHEMBL4836317 0.94 CHRM1 (0.42) CHRM1HRH1PAK1
SCHEMBL14156677 0.91 CHRM1 (0.49) CHRM1HRH1PAK1
SCHEMBL14163677 0.90 DRD2 (0.46) CHRM1HRH1DRD2DRD1
SCHEMBL4840330 0.90 CHRM1 (0.45) CHRM1HRH1PAK1DRD2DRD1

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 9 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
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
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 302/4885HRH1 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.