SCHEMBL5577906

SCHEMBL5577906

Cc1cccc(C(=O)NCc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
PRKAA2 P54646 1/20 0.44
P2RX7 Q99572 1/20 0.44
MCHR1 Q99705 4/20 0.43
SLC6A12 P48065 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MT-CO2 P00403 1/20 0.43
HTR2C P28335 1/20 0.42
KLKB1 P03952 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
SCHEMBL5577515 0.93 POLB (0.53) SIGMAR1DRD3ALDH1A1L3MBTL1POLB
SCHEMBL5577659 0.93 SIGMAR1 (0.52) SIGMAR1DRD3ALDH1A1L3MBTL1PRKAA2
SCHEMBL5577846 0.92 MT-CO2 (0.51) SIGMAR1DRD3PRKAA2MCHR1SLC6A12
SCHEMBL5577726 0.89 SIGMAR1 (0.51) SIGMAR1DRD3PRKAA2MCHR1SLC6A12
SCHEMBL5577451 0.88 SIGMAR1 (0.48) SIGMAR1ALDH1A1L3MBTL1POLBMCHR1
SCHEMBL5577373 0.88 SIGMAR1 (0.48) SIGMAR1MCHR1SLC6A12TMEM97HTR2C
SCHEMBL5577507 0.87 MT-CO2 (0.50) SIGMAR1DRD3PRKAA2MCHR1MT-CO2
SCHEMBL5577829 0.87 SIGMAR1 (0.51) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL5577884 0.86 SIGMAR1 (0.47) SIGMAR1DRD3ALDH1A1L3MBTL1POLB
SCHEMBL5577428 0.86 SIGMAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1POLBMCHR1

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 3281/4885DRD3 4080/4885ALDH1A1 1147/4885

“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.