SCHEMBL4498693

SCHEMBL4498693

O=C1CCN(CCN2CCCC2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
CRBN Q96SW2 2/20 0.41
FKBP5 Q13451 1/20 0.41
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
LTA4H P09960 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
GLA P06280 1/20 0.35
CXCR4 P61073 1/20 0.34
DRD2 P14416 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL11389517 0.79 MEN1 (0.43) LMNAPKMDRD2PARP1
SCHEMBL15330711 0.79 LMNA (0.36) OR51E2KDM4EGAAPOLBCRBN
SCHEMBL13178226 0.78 ALOX5 (0.45) PKM
SCHEMBL774001 0.78 CRBN (0.40) OR51E2KDM4EGAAPOLBCRBN
SCHEMBL14107874 0.78 CRBN (0.40) OR51E2KDM4EGAAPOLBCRBN
SCHEMBL13600572 0.75 LMNA (0.34) OR51E2KDM4EPOLBCRBNLMNA
SCHEMBL14941658 0.74 LMNA (0.38) OR51E2KDM4EGAAPOLBCRBN
SCHEMBL9000006 0.74 OR51E2 (0.46) OR51E2KDM4EGAAPOLBCRBN
SCHEMBL15333289 0.74 LMNA (0.38) OR51E2KDM4EGAAPOLBCRBN
SCHEMBL12991733 0.74 PAOX (0.46) KDM4ELMNAPKMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 OR51E2 399/4885KDM4E 3080/4885GAA 4580/4885

“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.