SCHEMBL5577834

SCHEMBL5577834

CCNC(=O)N(Cc1ccccc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SIGMAR1 Q99720 4/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
CACNA1G O43497 3/20 0.46
POLB P06746 1/20 0.46
MCHR1 Q99705 2/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
CHRM4 P08173 2/20 0.45

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
SCHEMBL5577823 0.95 HRH3 (0.47) GAAKDM4ELMNASIGMAR1MCHR1
SCHEMBL5577702 0.95 MCHR1 (0.51) GAAKDM4ELMNASIGMAR1MCHR1
SCHEMBL5577647 0.92 CACNA1G (0.48) GAAKDM4ELMNASIGMAR1ACHE
SCHEMBL5577712 0.92 GAA (0.57) GAAKDM4ELMNASIGMAR1ACHE
SCHEMBL5577271 0.92 MEN1 (0.45) GAAKDM4ELMNASIGMAR1CACNA1G
SCHEMBL5577520 0.92 SIGMAR1 (0.45) GAAKDM4ELMNASIGMAR1CACNA1G
SCHEMBL5577574 0.91 GAA (0.44) GAAKDM4ELMNASIGMAR1ACHE
SCHEMBL5577462 0.91 SIGMAR1 (0.51) GAAKDM4ELMNASIGMAR1CACNA1G
SCHEMBL5577322 0.91 OPRM1 (0.46) GAAKDM4ELMNASIGMAR1UBE2M
SCHEMBL5577872 0.90 MEN1 (0.49) KDM4ESIGMAR1CACNA1GPOLBMCHR1

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 GAA 3806/4885KDM4E 4213/4885LMNA 4819/4885

“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.