SCHEMBL5577548

SCHEMBL5577548

CSc1ccc(C(=O)NCc2cccc(C3CCN(C/C=C/c4ccc(N(C)C)cc4)CC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPK1 P28482 1/20 0.40
MCHR1 Q99705 4/20 0.40
CCR3 P51677 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
SCHEMBL5577555 1.00 DRD2 (0.47) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL5577835 0.87 DRD2 (0.51) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL5577368 0.85 HDAC1 (0.44) DRD2DRD4DRD3HTR1AHDAC3
SCHEMBL5577370 0.85 HDAC1 (0.44) DRD2DRD4DRD3HTR1AHDAC3
SCHEMBL5577402 0.79 MEN1 (0.56) DRD2DRD4HDAC3HDAC4HDAC1
SCHEMBL5577395 0.77 MEN1 (0.47) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL5577810 0.77 ALDH1A1 (0.56) DRD2DRD4HDAC1ALDH1A1LMNA
SCHEMBL5577693 0.77 CHRM3 (0.54) DRD2DRD4HDAC1CHRM3ACKR3
SCHEMBL5577654 0.76 MEN1 (0.59) DRD2DRD4HDAC1MCHR1ALDH1A1
SCHEMBL5577263 0.76 ALDH1A1 (0.50) DRD2DRD3HDAC3HDAC4HDAC1

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 4468/4885DRD4 4092/4885DRD3 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.