SCHEMBL5577327

SCHEMBL5577327

CN(C)c1ccc(/C=C/CN2CCN(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 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
SCHEMBL5577330 1.00 DRD2 (0.47) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577263 0.92 ALDH1A1 (0.50) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577265 0.92 ALDH1A1 (0.50) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577600 0.92 KDM4E (0.48) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577601 0.92 KDM4E (0.48) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577891 0.90 DRD2 (0.49) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577370 0.90 HDAC1 (0.44) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577886 0.90 DRD2 (0.49) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577368 0.90 HDAC1 (0.44) DRD2DRD3MAPTNPSR1TDP1
SCHEMBL5577430 0.90 DRD2 (0.46) DRD2DRD3MAPTNPSR1TDP1

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 4080/4885MAPT 449/4885

“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.