SCHEMBL5577478

SCHEMBL5577478

CCNC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
KMT2A Q03164 1/20 0.42
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MCHR1 Q99705 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39

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
SCHEMBL5577870 0.92 SIGMAR1 (0.47) ACHESIGMAR1UBE2MDCUN1D1HRH3
SCHEMBL5577281 0.91 ACHE (0.48) ACHESIGMAR1MCHR1HRH3
SCHEMBL5577819 0.91 ACHE (0.46) ACHESIGMAR1KMT2AMCHR1HRH3
SCHEMBL5577782 0.90 MEN1 (0.50) ACHEDRD2SIGMAR1KMT2A
SCHEMBL5577631 0.89 ACHE (0.52) ACHEDRD4DRD2SIGMAR1KMT2A
SCHEMBL5577410 0.88 DRD4 (0.45) ACHEDRD4DRD2SIGMAR1KMT2A
SCHEMBL5577913 0.87 HRH3 (0.50) ACHESIGMAR1KMT2AHRH3
SCHEMBL5577574 0.87 GAA (0.44) ACHEDRD4SIGMAR1UBE2MDCUN1D1
SCHEMBL5577338 0.85 SIGMAR1 (0.43) ACHESIGMAR1MCHR1
SCHEMBL5577274 0.85 CACNA1G (0.47) ACHEDRD2SIGMAR1KMT2A

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 1504/4885DRD4 4092/4885DRD2 4468/4885

“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.