SCHEMBL5577597

SCHEMBL5577597

Cc1ccc(C)c(C(=O)NCc2ccccc2N2CCN(Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.52
DRD4 P21917 3/20 0.52
MAPK1 P28482 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
NPY2R P49146 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5577434 0.85 MAPK1 (0.51) DRD2DRD3DRD4MAPK1KMT2A
SCHEMBL5577884 0.83 SIGMAR1 (0.47) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577639 0.82 LMNA (0.61) DRD2MAPK1KMT2AMEN1LMNA
SCHEMBL5577456 0.81 KMT2A (0.53) DRD2DRD3DRD4MAPK1KMT2A
SCHEMBL5577433 0.81 DRD2 (0.53) DRD2DRD3DRD4MAPK1
SCHEMBL5577445 0.81 CHRM3 (0.51) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5577826 0.80 MT-CO2 (0.49) DRD2DRD3MAPK1KDM4ENPY2R
SCHEMBL5577767 0.79 MAPK1 (0.62) DRD2DRD3DRD4MAPK1KMT2A
SCHEMBL5577394 0.79 CNR2 (0.49) DRD2DRD3DRD4MAPK1NPY2R
SCHEMBL5577451 0.77 SIGMAR1 (0.48) DRD2KMT2AMEN1ALDH1A1

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 DRD2 4468/4885DRD3 4080/4885DRD4 4092/4885

“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.