SCHEMBL5577575

SCHEMBL5577575

COc1cccc(OC)c1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
SIGMAR1 Q99720 2/20 0.50
CHRM4 P08173 1/20 0.50
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KLKB1 P03952 1/20 0.47
HTR4 Q13639 1/20 0.47
CCR3 P51677 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
MAPK1 P28482 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL5577694 0.95 SIGMAR1 (0.51) DRD3MEN1KMT2ASIGMAR1CHRM4
SCHEMBL5577644 0.88 CCR3 (0.53) DRD3MEN1KMT2ASIGMAR1CHRM4
SCHEMBL5577560 0.86 HTR4 (0.53) DRD3MEN1KMT2ACHRM4ATM
SCHEMBL5577399 0.85 SIGMAR1 (0.53) KMT2ASIGMAR1CHRM4ALDH1A1
SCHEMBL5577726 0.83 SIGMAR1 (0.51) DRD3KMT2ASIGMAR1CHRM4PLA2G1B
SCHEMBL5577858 0.83 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1CHRM4ATM
SCHEMBL5577767 0.83 MAPK1 (0.62) DRD3KMT2AALDH1A1DRD2DRD4
SCHEMBL5577515 0.83 POLB (0.53) DRD3MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL5577906 0.82 SIGMAR1 (0.48) DRD3SIGMAR1ALDH1A1KLKB1
SCHEMBL5577342 0.82 DRD4 (0.57) SIGMAR1CHRM4DRD2DRD4

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 DRD3 4080/4885MEN1 748/4885KMT2A 3527/4885

“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.