SCHEMBL5577644

SCHEMBL5577644

COc1ccc(F)cc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.53
HTR4 Q13639 1/20 0.53
DRD3 P35462 4/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 1/20 0.49
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CHRM4 P08173 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KLKB1 P03952 1/20 0.48

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
SCHEMBL5577560 0.94 HTR4 (0.53) CCR3HTR4DRD3MEN1KMT2A
SCHEMBL5577451 0.88 SIGMAR1 (0.48) MEN1KMT2ADRD2SIGMAR1
SCHEMBL5577575 0.88 DRD3 (0.53) CCR3HTR4DRD3MEN1KMT2A
SCHEMBL5577694 0.86 SIGMAR1 (0.51) CCR3HTR4DRD3MEN1KMT2A
SCHEMBL5577726 0.85 SIGMAR1 (0.51) DRD3KMT2APLA2G1BATG4BCHRM4
SCHEMBL5577884 0.85 SIGMAR1 (0.47) DRD3DRD2DRD4CHRM4SIGMAR1
SCHEMBL5577428 0.85 SIGMAR1 (0.47) MEN1KMT2ADRD4CHRM4SIGMAR1
SCHEMBL5577373 0.84 SIGMAR1 (0.48) HTR4CHRM4SIGMAR1
SCHEMBL5577515 0.84 POLB (0.53) CCR3DRD3MEN1KMT2ASIGMAR1
SCHEMBL5577829 0.83 SIGMAR1 (0.51) HTR4MEN1KMT2ASIGMAR1

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 CCR3 120/4885HTR4 2137/4885DRD3 4080/4885

“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.