SCHEMBL5577504

SCHEMBL5577504

O=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cc(Cl)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
CHRM4 P08173 2/20 0.46
CCR3 P51677 1/20 0.45
KMT2A Q03164 1/20 0.44
SLC6A12 P48065 2/20 0.44
MAPK8 P45983 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MCHR1 Q99705 1/20 0.44
SCN7A Q01118 1/20 0.44
SCN5A Q14524 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
SCHEMBL5577759 0.94 SIGMAR1 (0.48) SIGMAR1CHRM4KMT2ASLC6A12TMEM97
SCHEMBL5577560 0.89 HTR4 (0.53) CHRM4CCR3KMT2A
SCHEMBL5577829 0.87 SIGMAR1 (0.51) SIGMAR1KMT2ASLC6A12TMEM97MCHR1
SCHEMBL5577726 0.85 SIGMAR1 (0.51) SIGMAR1CHRM4KMT2ASLC6A12TMEM97
SCHEMBL5577528 0.85 SIGMAR1 (0.48) SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577373 0.85 SIGMAR1 (0.48) SIGMAR1CHRM4SLC6A12TMEM97MCHR1
SCHEMBL5577824 0.85 SIGMAR1 (0.48) SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577451 0.85 SIGMAR1 (0.48) SIGMAR1KMT2ASLC6A12TMEM97MCHR1
SCHEMBL5577565 0.85 CCR3 (0.55) SIGMAR1CHRM4CCR3KMT2ASLC6A12
SCHEMBL5577515 0.85 POLB (0.53) SIGMAR1CCR3KMT2ASLC6A12TMEM97

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 3281/4885CHRM4 3794/4885CCR3 120/4885

“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.