SCHEMBL5577565

SCHEMBL5577565

O=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.55
SIGMAR1 Q99720 4/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MCHR1 Q99705 1/20 0.46
CHRM4 P08173 3/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
KMT2A Q03164 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
SCHEMBL5577726 0.87 SIGMAR1 (0.51) SIGMAR1SLC6A12TMEM97MCHR1CHRM4
SCHEMBL5577829 0.87 SIGMAR1 (0.51) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL5577515 0.87 POLB (0.53) CCR3SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577528 0.85 SIGMAR1 (0.48) SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577504 0.85 SIGMAR1 (0.51) CCR3SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577350 0.85 LMNA (0.51) CCR3SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577824 0.85 SIGMAR1 (0.48) SIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL5577858 0.85 SIGMAR1 (0.56) SIGMAR1SLC6A12TMEM97MCHR1CHRM4
SCHEMBL5577578 0.84 LMNA (0.59) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL5577906 0.84 SIGMAR1 (0.48) SIGMAR1SLC6A12TMEM97MCHR1

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 CCR3 120/4885SIGMAR1 3281/4885CHRNB2 4187/4885

“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.