SCHEMBL5577845

SCHEMBL5577845

COc1ccc(CN2CCC(c3ncccc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
F10 P00742 2/20 0.50
MAPT P10636 2/20 0.49
MCHR1 Q99705 2/20 0.49
GAA P10253 2/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL5577425 0.96 ACKR3 (0.50) ACKR3LMNASMN1; SMN2F10MAPT
SCHEMBL5577850 0.86 LMNA (0.45) ACKR3LMNASMN1; SMN2DRD2DRD3
SCHEMBL5577755 0.85 MCHR1 (0.51) ACKR3MCHR1MEN1KMT2ASIGMAR1
SCHEMBL5577374 0.85 SCN2A (0.51) ACKR3LMNASMN1; SMN2F10MAPT
SCHEMBL5577380 0.85 ACKR3 (0.55) ACKR3LMNASMN1; SMN2MCHR1GAA
SCHEMBL5577683 0.84 LMNA (0.49) ACKR3LMNASMN1; SMN2F10MCHR1
SCHEMBL5577807 0.83 LMNA (0.51) ACKR3LMNASMN1; SMN2F10MAPT
SCHEMBL5577424 0.83 DRD2 (0.48) ACKR3LMNASMN1; SMN2F10MAPT
SCHEMBL14586598 0.83 LMNA (0.55) ACKR3LMNASMN1; SMN2MCHR1GAA
SCHEMBL5577763 0.82 SCN2A (0.53) ACKR3LMNASMN1; SMN2F10MAPT

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 ACKR3 389/4885LMNA 4819/4885SMN1; SMN2 2012/4885

“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.