SCHEMBL5577428

SCHEMBL5577428

Cc1ccc(C(=O)NCc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
MCHR1 Q99705 5/20 0.46
CHRM4 P08173 1/20 0.46
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL5577884 0.93 SIGMAR1 (0.47) SIGMAR1MCHR1CHRM4SLC6A12TMEM97
SCHEMBL5577373 0.91 SIGMAR1 (0.48) SIGMAR1MCHR1CHRM4SLC6A12TMEM97
SCHEMBL5577515 0.91 POLB (0.53) SIGMAR1MCHR1SLC6A12TMEM97LMNA
SCHEMBL5577451 0.89 SIGMAR1 (0.48) SIGMAR1MCHR1SLC6A12TMEM97POLB
SCHEMBL5577342 0.86 DRD4 (0.57) SIGMAR1MCHR1CHRM4SLC6A12TMEM97
SCHEMBL5577906 0.86 SIGMAR1 (0.48) SIGMAR1MCHR1SLC6A12TMEM97POLB
SCHEMBL5577726 0.86 SIGMAR1 (0.51) SIGMAR1MCHR1CHRM4SLC6A12TMEM97
SCHEMBL5577644 0.85 CCR3 (0.53) SIGMAR1CHRM4MEN1KMT2ADRD4
SCHEMBL5577659 0.84 SIGMAR1 (0.52) SIGMAR1MCHR1CHRM4SLC6A12TMEM97
SCHEMBL5577829 0.84 SIGMAR1 (0.51) SIGMAR1MCHR1SLC6A12TMEM97MEN1

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 3281/4885MCHR1 4381/4885CHRM4 3794/4885

“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.