SCHEMBL4844343

SCHEMBL4844343

COCC[C@H]1CN(C2=Nc3ccccc3Nc3ccc(C)cc32)CCN1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.53
DRD4 P21917 10/20 0.50
DRD2 P14416 9/20 0.50
DRD3 P35462 4/20 0.50
DRD1 P21728 4/20 0.48
NFKB1 P19838 2/20 0.48
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR3E A5X5Y0 2/20 0.43
MEN1 O00255 2/20 0.43
HTR3B O95264 2/20 0.43
ABCB11 O95342 2/20 0.43
LMNA P02545 2/20 0.43
ADRB2 P07550 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
HTR1A P08908 2/20 0.43
CHRM5 P08912 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43

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
SCHEMBL4844331 1.00 CHRM1 (0.53) CHRM1DRD4DRD2DRD3DRD1
SCHEMBL4844352 1.00 CHRM1 (0.53) CHRM1DRD4DRD2DRD3DRD1
SCHEMBL5288472 0.92 DRD2 (0.48) CHRM1DRD4DRD2DRD3DRD1
SCHEMBL5288483 0.92 DRD2 (0.48) CHRM1DRD4DRD2DRD3DRD1
SCHEMBL5288478 0.92 DRD2 (0.48) CHRM1DRD4DRD2DRD3DRD1
SCHEMBL14156716 0.90 DRD2 (0.65) CHRM1DRD4DRD2DRD3DRD1
Hydrochloric Acid SCHEMBL4835694 0.89 DRD2 (0.64) CHRM1DRD4DRD2DRD3DRD1
Hydrochloric Acid SCHEMBL4835687 0.89 DRD2 (0.64) CHRM1DRD4DRD2DRD3DRD1
Hydrochloric Acid SCHEMBL4835707 0.89 DRD2 (0.64) CHRM1DRD4DRD2DRD3DRD1
SCHEMBL6208004 0.89 DRD2 (0.51) CHRM1DRD4DRD2DRD3DRD1

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-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

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 302/4885DRD4 27/4885DRD2 7/4885

“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.