SCHEMBL5577848

SCHEMBL5577848

COc1ccc(CN2CCC(C#N)(c3cc(CNC(=O)c4cccc(Cl)c4C)ccn3)CC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
CHRM3 P20309 3/20 0.43
HPGD P15428 2/20 0.42
APEX1 P27695 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FAP Q12884 1/20 0.40
POLB P06746 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HTR1A P08908 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL5577799 0.90 LMNA (0.45) LMNACHRM3HPGDAPEX1MEN1
SCHEMBL5577806 0.89 MT-CO2 (0.45) LMNACHRM3MEN1KMT2ARAB9A
SCHEMBL5577917 0.88 PDE4A (0.47) LMNACHRM3HPGDAPEX1MEN1
SCHEMBL5577488 0.88 PDE4A (0.48) LMNACHRM3HPGDAPEX1MEN1
SCHEMBL5577453 0.87 LMNA (0.45) LMNAMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5577375 0.86 GAA (0.46) LMNACHRM3ALDH1A1POLBKCNH2
SCHEMBL5577536 0.84 DRD2 (0.42) LMNACHRM3HPGDMEN1KMT2A
SCHEMBL5577863 0.84 KDM4E (0.39) LMNACHRM3HPGDAPEX1MEN1
SCHEMBL5577521 0.84 KDM4E (0.41) LMNACHRM3HPGDAPEX1MEN1
SCHEMBL5577512 0.83 LMNA (0.47) LMNACHRM3HPGDAPEX1MEN1

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C LMNA 4819/4885CHRM3 2099/4885HPGD 855/4885

“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.