SCHEMBL5577819

SCHEMBL5577819

CCNC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MCHR1 Q99705 6/20 0.45
OPRM1 P35372 2/20 0.44
SIGMAR1 Q99720 3/20 0.43
HRH3 Q9Y5N1 4/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
GFER P55789 1/20 0.42
KCNH2 Q12809 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
SCHEMBL5577281 0.94 ACHE (0.48) ACHEMCHR1SIGMAR1HRH3KDM4E
SCHEMBL5577913 0.93 HRH3 (0.50) ACHESIGMAR1HRH3MEN1KMT2A
SCHEMBL5577478 0.91 ACHE (0.43) ACHEMCHR1SIGMAR1HRH3KMT2A
SCHEMBL5577274 0.91 CACNA1G (0.47) ACHEOPRM1SIGMAR1MEN1MAPK1
SCHEMBL5577702 0.89 MCHR1 (0.51) MCHR1SIGMAR1HRH3ALDH1A1KDM4E
SCHEMBL5577790 0.88 ACHE (0.56) ACHEMCHR1OPRM1SIGMAR1ALDH1A1
SCHEMBL5577338 0.88 SIGMAR1 (0.43) ACHEMCHR1SIGMAR1ALDH1A1KDM4E
SCHEMBL5577751 0.88 ACHE (0.47) ACHEMCHR1OPRM1SIGMAR1HRH3
SCHEMBL5577870 0.87 SIGMAR1 (0.47) ACHESIGMAR1HRH3KCNH2
SCHEMBL5577482 0.86 SIGMAR1 (0.43) ACHESIGMAR1HRH3KDM4EMEN1

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 ACHE 1504/4885MCHR1 4381/4885OPRM1 584/4885

“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.