SCHEMBL5577486

SCHEMBL5577486

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4cccc(Cl)c4C)cc3)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.47
DRD4 P21917 9/20 0.47
DRD3 P35462 9/20 0.47
CCR3 P51677 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
APEX1 P27695 1/20 0.46
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
PDE10A Q9Y233 1/20 0.45
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 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
SCHEMBL5577359 0.93 DRD2 (0.47) DRD2DRD4DRD3CCR3LMNA
SCHEMBL5577535 0.88 S1PR1 (0.47) DRD2DRD4DRD3CCR3LMNA
SCHEMBL5577476 0.88 LMNA (0.55) CCR3LMNAHPGDABCB1PDE10A
SCHEMBL5715680 0.87 LMNA (0.45) DRD2DRD4DRD3CCR3LMNA
SCHEMBL5577553 0.87 ABCB1 (0.51) LMNAAPEX1ABCB1ALDH1A1MCHR1
SCHEMBL5577554 0.86 MT-CO2 (0.55) DRD3LMNAALDH1A1MCHR1SIGMAR1
SCHEMBL5577605 0.85 LMNA (0.45) DRD2DRD4DRD3CCR3LMNA
SCHEMBL5577735 0.85 LMNA (0.46) CCR3LMNAHPGDAPEX1MAPT
SCHEMBL5577549 0.84 LMNA (0.48) DRD2DRD4DRD3CCR3LMNA
SCHEMBL5577426 0.84 PDE5A (0.41) DRD2DRD4DRD3CCR3LMNA

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.