SCHEMBL4840306

SCHEMBL4840306

O=C1CNC(=O)[C@@H](COCc2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
GLA P06280 1/20 0.43
CYP3A4 P08684 4/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
CDC7 O00311 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL16543 1.00 LMNA (0.50) LMNABCHEACHEGLACYP3A4
SCHEMBL16088 1.00 LMNA (0.50) LMNABCHEACHEGLACYP3A4
SCHEMBL4435753 0.87 HTT (0.41) LMNABCHEACHEGLATSHR
SCHEMBL4431307 0.87 HTT (0.41) LMNABCHEACHEGLATSHR
SCHEMBL10515612 0.82 BCHE (0.55) LMNABCHEACHEGLACYP3A4
SCHEMBL10515643 0.82 BCHE (0.55) LMNABCHEACHEGLACYP3A4
SCHEMBL1598687 0.81 HDAC8 (0.57) HDAC8HRH3OPRM1OPRD1OPRK1
SCHEMBL7304234 0.81 HDAC8 (0.57) HDAC8HRH3OPRM1OPRD1OPRK1
SCHEMBL1673516 0.81 HDAC8 (0.57) HDAC8HRH3OPRM1OPRD1OPRK1
SCHEMBL18009377 0.81 HCAR2 (0.55) LMNAGLAOPRM1OPRD1OPRK1

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 3401/4885BCHE 4547/4885ACHE 4210/4885

“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.