SCHEMBL3582934

SCHEMBL3582934

O=C(O)N1CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.68
USP2 O75604 1/20 0.63
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
AVPR1A P37288 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.58
HIF1A Q16665 1/20 0.58
TGM2 P21980 2/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL4453090 0.93 ALDH1A1 (0.77) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL6430908 0.86 ALDH1A1 (0.68) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL27295608 0.86 ALDH1A1 (0.76) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL3518475 0.85 ALDH1A1 (0.67) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL25247976 0.85 ALDH1A1 (0.66) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL28394623 0.85 ALDH1A1 (0.66) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL8407368 0.85 ALDH1A1 (0.66) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL14720666 0.85 ALDH1A1 (0.66) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL11360223 0.85 ALDH1A1 (0.66) ALDH1A1LMNAUSP2POLBHTT
SCHEMBL28570849 0.85 ALDH1A1 (0.66) ALDH1A1LMNAUSP2POLBHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 ALDH1A1 1903/4885LMNA 4344/4885USP2 1018/4885

“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.