SCHEMBL5577528

SCHEMBL5577528

O=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
PRKAA2 P54646 1/20 0.45
DRD3 P35462 1/20 0.44
MCHR1 Q99705 2/20 0.44
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MT-CO2 P00403 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR4 Q13639 1/20 0.43
HTR2C P28335 1/20 0.42
PTBP1 P26599 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
SCHEMBL5577829 0.93 SIGMAR1 (0.51) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL5577824 0.93 SIGMAR1 (0.48) SIGMAR1PRKAA2DRD3MCHR1SLC6A12
SCHEMBL5577846 0.91 MT-CO2 (0.51) SIGMAR1PRKAA2DRD3MCHR1SLC6A12
SCHEMBL5577726 0.87 SIGMAR1 (0.51) SIGMAR1PRKAA2DRD3MCHR1SLC6A12
SCHEMBL5577399 0.87 SIGMAR1 (0.53) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL5577515 0.87 POLB (0.53) SIGMAR1DRD3MCHR1SLC6A12TMEM97
SCHEMBL5577507 0.86 MT-CO2 (0.50) SIGMAR1PRKAA2DRD3MCHR1MT-CO2
SCHEMBL5577759 0.86 SIGMAR1 (0.48) SIGMAR1MCHR1SLC6A12TMEM97HTR4
SCHEMBL5577906 0.86 SIGMAR1 (0.48) SIGMAR1PRKAA2DRD3MCHR1SLC6A12
SCHEMBL5577659 0.86 SIGMAR1 (0.52) SIGMAR1PRKAA2DRD3MCHR1SLC6A12

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 SIGMAR1 3281/4885PRKAA2 4492/4885DRD3 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.