SCHEMBL5577757

SCHEMBL5577757

COc1ccc(CN2CCCN(c3cc(CNC(=O)c4ccc(Cl)cc4)ccn3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 2/20 0.46
ATM Q13315 1/20 0.45
CCR3 P51677 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5577317 0.97 GAA (0.51) MCHR1ALDH1A1GAAPOLBMAPT
SCHEMBL5577527 0.86 OPRM1 (0.54) MCHR1DRD2DRD3DRD4
SCHEMBL5577595 0.86 SMN1; SMN2 (0.58) MCHR1ALDH1A1GAAPOLBMAPT
SCHEMBL5577522 0.85 LMNA (0.45) ALDH1A1GAALMNAHPGDKDM4E
SCHEMBL5577869 0.85 SMN1; SMN2 (0.56) MCHR1ALDH1A1GAAPOLBMAPT
SCHEMBL5577763 0.84 SCN2A (0.53) MCHR1ALDH1A1GAAPOLBMAPT
SCHEMBL5577798 0.84 GAA (0.46) ALDH1A1GAAPOLBMAPTLMNA
SCHEMBL5577739 0.84 CXCR3 (0.51) MCHR1ALDH1A1GAAPOLBMAPT
SCHEMBL5577616 0.82 KLKB1 (0.52) MAPT
SCHEMBL5577473 0.82 ALDH1A1 (0.51) MCHR1ALDH1A1GAAPOLBMAPT

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 MCHR1 4381/4885ALDH1A1 1147/4885GAA 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.