SCHEMBL5577424

SCHEMBL5577424

COc1ccc(CN2CCC(O)(c3ncccc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
GAA P10253 1/20 0.47
ACKR3 P25106 1/20 0.46
MAPT P10636 4/20 0.46
MCHR1 Q99705 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
JAK1 P23458 1/20 0.44
KCNH2 Q12809 2/20 0.43
F10 P00742 1/20 0.43
CCR8 P51685 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR3 P51677 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5577794 0.89 GAA (0.44) DRD2DRD3GAAACKR3MAPT
SCHEMBL5577749 0.87 LMNA (0.45) DRD2DRD3LMNACCR8KDM4E
SCHEMBL5577899 0.86 MCHR1 (0.47) DRD2MCHR1JAK1RXFP1TP53
SCHEMBL5577842 0.85 GAA (0.48) GAAMCHR1SMN1; SMN2LMNAKCNH2
SCHEMBL5577374 0.84 SCN2A (0.51) DRD2DRD3GAAACKR3MAPT
SCHEMBL5577627 0.84 GAA (0.48) GAAMAPTMCHR1SMN1; SMN2LMNA
SCHEMBL5577845 0.83 ACKR3 (0.53) DRD2DRD3GAAACKR3MAPT
Hydrochloric Acid SCHEMBL5577653 0.82 KDM4E (0.56) GAAMCHR1SMN1; SMN2LMNAKDM4E
SCHEMBL5577763 0.82 SCN2A (0.53) DRD2DRD3GAAACKR3MAPT
SCHEMBL5577425 0.81 ACKR3 (0.50) DRD2DRD3GAAACKR3MAPT

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 4468/4885DRD3 4080/4885GAA 3806/4885

“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.