SCHEMBL5577871

SCHEMBL5577871

COc1ccc(CN2CCN(c3ccccc3CNC(=O)c3ccc(Cl)cc3)CC2C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
DRD4 P21917 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ACKR3 P25106 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MCHR1 Q99705 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 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
SCHEMBL5577557 0.87 SCN2A (0.46) DRD2DRD3GAASMN1; SMN2ACKR3
SCHEMBL5577709 0.86 GAA (0.51) GAASMN1; SMN2MAPTNPC1LMNA
SCHEMBL5577657 0.86 GNRHR (0.45) DRD2DRD3DRD4GAATP53
SCHEMBL5577774 0.86 LMNA (0.43) DRD2DRD3DRD4GAALMNA
SCHEMBL5577602 0.85 SMN1; SMN2 (0.48) GAASMN1; SMN2TP53MAPTLMNA
SCHEMBL5577511 0.84 ACKR3 (0.49) DRD2DRD3DRD4GAASMN1; SMN2
SCHEMBL5577320 0.83 DRD2 (0.58) DRD2DRD3DRD4GAASMN1; SMN2
SCHEMBL5577798 0.82 GAA (0.46) GAASMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL5577418 0.81 GAA (0.45) GAASMN1; SMN2MCHR1L3MBTL1
SCHEMBL5577800 0.81 GAA (0.45) GAASMN1; SMN2LMNAMCHR1L3MBTL1

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.