SCHEMBL5577359

SCHEMBL5577359

COc1ccc(CN2CCC(c3cccc(CNC(=O)c4cccc(Cl)c4C)c3)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
DRD4 P21917 10/20 0.47
DRD3 P35462 10/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
APEX1 P27695 1/20 0.46
CHRM3 P20309 1/20 0.46
CCR3 P51677 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ACKR3 P25106 1/20 0.44

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
SCHEMBL5577486 0.93 DRD2 (0.47) DRD2DRD4DRD3LMNAHPGD
SCHEMBL5715680 0.87 LMNA (0.45) DRD2DRD4DRD3LMNAHPGD
SCHEMBL5577901 0.87 MT-CO2 (0.50) DRD3LMNACHRM3SIGMAR1ACKR3
SCHEMBL5577535 0.87 S1PR1 (0.47) DRD2DRD4DRD3LMNACCR3
SCHEMBL5577897 0.86 GAA (0.54) LMNACHRM3ACKR3
SCHEMBL5577735 0.85 LMNA (0.46) LMNAHPGDAPEX1CHRM3CCR3
SCHEMBL5577605 0.83 LMNA (0.45) DRD2DRD4DRD3LMNACCR3
SCHEMBL5577568 0.83 LMNA (0.49) DRD2DRD4DRD3LMNAHPGD
SCHEMBL5577426 0.83 PDE5A (0.41) DRD2DRD4DRD3LMNACCR3
SCHEMBL5577591 0.83 DRD4 (0.42) DRD2DRD4DRD3CCR3SIGMAR1

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 DRD2 4468/4885DRD4 4092/4885DRD3 4080/4885

“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.