SCHEMBL5577320

SCHEMBL5577320

COc1ccc(CN2CCCN(c3ccccc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
DRD3 P35462 10/20 0.58
DRD4 P21917 5/20 0.58
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MCHR1 Q99705 1/20 0.52
ACKR3 P25106 1/20 0.50
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL5577763 0.87 SCN2A (0.53) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577595 0.86 SMN1; SMN2 (0.58) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577517 0.85 KDM4E (0.52) DRD2DRD3DRD4ALDH1A1KDM4E
SCHEMBL5577895 0.85 DRD2 (0.53) DRD2DRD3DRD4LMNAMCHR1
SCHEMBL5577869 0.85 SMN1; SMN2 (0.56) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577511 0.83 ACKR3 (0.49) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577871 0.83 DRD2 (0.48) DRD2DRD3DRD4LMNASMN1; SMN2
SCHEMBL5577374 0.83 SCN2A (0.51) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577757 0.82 MCHR1 (0.49) DRD2DRD3DRD4ALDH1A1LMNA
SCHEMBL5577473 0.80 ALDH1A1 (0.51) DRD2DRD3DRD4ALDH1A1LMNA

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.