SCHEMBL4844085

SCHEMBL4844085

COCCC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.62
LMNA P02545 2/20 0.61
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL4844073 1.00 SIGMAR1 (0.62) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL6728686 0.87 SIGMAR1 (0.55) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL64954 0.86 SIGMAR1 (0.64) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL4780725 0.85 SIGMAR1 (0.58) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL3493014 0.85 LMNA (0.55) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL29245975 0.83 SIGMAR1 (0.46) SIGMAR1LMNAALDH1A1
SCHEMBL27929970 0.83 LMNA (0.53) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL5557553 0.82 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1POLBMEN1
SCHEMBL5557549 0.82 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1POLBMEN1
SCHEMBL4778855 0.82 SIGMAR1 (0.55) SIGMAR1LMNAALDH1A1POLBGAA

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 8 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 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-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 WO 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 (2 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 SIGMAR1 27/4885LMNA 4399/4885ALDH1A1 2523/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 SIGMAR1 41/4885LMNA 3401/4885ALDH1A1 215/4885

“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.