SCHEMBL5577535

SCHEMBL5577535

COc1ccc(CN2CCC(c3ccccc3CNC(=O)c3cccc(Cl)c3C)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
CCR3 P51677 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
DRD2 P14416 10/20 0.46
DRD4 P21917 10/20 0.46
DRD3 P35462 10/20 0.46
ACKR3 P25106 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TMEM97 Q5BJF2 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5577486 0.88 DRD2 (0.47) CCR3DRD2DRD4DRD3SIGMAR1
SCHEMBL5577605 0.88 LMNA (0.45) S1PR1S1PR5CCR3DRD2DRD4
SCHEMBL5577507 0.87 MT-CO2 (0.50) CCR3DRD2DRD4DRD3ACKR3
SCHEMBL5577359 0.87 DRD2 (0.47) CCR3DRD2DRD4DRD3ACKR3
SCHEMBL5577850 0.86 LMNA (0.45) S1PR1S1PR5CCR3DRD2DRD4
SCHEMBL5577380 0.85 ACKR3 (0.55) ATMDRD2DRD3ACKR3SIGMAR1
SCHEMBL5715680 0.84 LMNA (0.45) CCR3DRD2DRD4DRD3SIGMAR1
SCHEMBL5577655 0.84 S1PR1 (0.45) S1PR1S1PR5KMT2AMEN1DRD2
SCHEMBL5577591 0.83 DRD4 (0.42) S1PR1S1PR5CCR3DRD2DRD4
SCHEMBL5577426 0.83 PDE5A (0.41) S1PR1S1PR5CCR3KMT2AMEN1

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 S1PR1 1242/4885S1PR5 1475/4885CCR3 120/4885

“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.