SCHEMBL4836976

SCHEMBL4836976

OCC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.80
LMNA P02545 2/20 0.79
POLB P06746 2/20 0.74
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 1/20 0.71

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
SCHEMBL3494735 1.00 SIGMAR1 (0.80) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL2974293 0.88 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL65364 0.88 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL20719 0.88 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5557553 0.86 SIGMAR1 (0.68) SIGMAR1LMNAPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21315850 0.86 SIGMAR1 (0.76) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5557549 0.86 SIGMAR1 (0.68) SIGMAR1LMNAPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21315849 0.86 SIGMAR1 (0.76) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL31421250 0.85 LMNA (0.60) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL3828668 0.84 SIGMAR1 (0.61) SIGMAR1LMNAPOLBALDH1A1MEN1

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 11 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
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-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 4399/4885POLB 4011/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 SIGMAR1 41/4885LMNA 3401/4885POLB 3044/4885

“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.