SCHEMBL5577425

SCHEMBL5577425

COc1ccc(CN2CCC(c3ncccc3CNC(=O)c3ccc(Cl)cc3)C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.50
GAA P10253 3/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
F10 P00742 1/20 0.48
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MCHR1 Q99705 4/20 0.46
RXFP1 Q9HBX9 3/20 0.44
TP53 P04637 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL5577845 0.96 ACKR3 (0.53) ACKR3GAAALDH1A1POLBLMNA
SCHEMBL5577380 0.88 ACKR3 (0.55) ACKR3GAAALDH1A1POLBLMNA
SCHEMBL5577605 0.86 LMNA (0.45) ACKR3LMNADRD2DRD3TP53
SCHEMBL5577641 0.86 MCHR1 (0.51) MEN1KMT2ADRD2MCHR1RXFP1
SCHEMBL5577408 0.84 GAA (0.51) ACKR3GAAALDH1A1POLBLMNA
SCHEMBL5577860 0.84 GAA (0.53) ACKR3GAAALDH1A1POLBLMNA
SCHEMBL5577347 0.83 GAA (0.46) ACKR3GAAALDH1A1POLBLMNA
SCHEMBL5577315 0.83 GAA (0.57) ACKR3GAAALDH1A1POLBLMNA
SCHEMBL5577374 0.83 SCN2A (0.51) ACKR3GAAALDH1A1LMNASMN1; SMN2
SCHEMBL5577850 0.82 LMNA (0.45) ACKR3ALDH1A1LMNASMN1; SMN2DRD2

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 389/4885GAA 3806/4885ALDH1A1 1147/4885

“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.