SCHEMBL4842649

SCHEMBL4842649

c1ccc(OCCC2CNCCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.57
HRH3 Q9Y5N1 1/20 0.46
KCNA3 P22001 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MAOB P27338 3/20 0.39
SLC6A4 P31645 1/20 0.38
MAOA P21397 2/20 0.38

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
SCHEMBL4975539 1.00 LTA4H (0.57) LTA4HHRH3KCNA3TAAR1ALDH1A1
SCHEMBL4842637 1.00 LTA4H (0.57) LTA4HHRH3KCNA3TAAR1ALDH1A1
SCHEMBL8773764 0.89 LTA4H (0.76) LTA4HHRH3
SCHEMBL3015826 0.83 LTA4H (0.78) LTA4HSLC6A4
SCHEMBL4843675 0.83 LTA4H (0.78) LTA4HSLC6A4
Hydrochloric Acid SCHEMBL4320101 0.82 LTA4H (0.76) LTA4HSLC6A4
SCHEMBL4752609 0.79 LTA4H (0.43) LTA4HSLC6A4
SCHEMBL6610063 0.79 LTA4H (0.57) LTA4H
SCHEMBL13809113 0.78 LTA4H (0.74) LTA4HSLC6A4
SCHEMBL3495293 0.78 LTA4H (0.51) LTA4HHRH3MAOBSLC6A4

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 LTA4H 4238/4885HRH3 652/4885KCNA3 223/4885

“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.