SCHEMBL5577591

SCHEMBL5577591

COc1ccc(CN2CCC(c3ncsc3CNC(=O)c3cccc(Cl)c3C)C2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.42
DRD2 P14416 8/20 0.42
DRD3 P35462 8/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTR4 Q13639 2/20 0.41
CCR3 P51677 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACKR3 P25106 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL5577640 0.96 HTR4 (0.43) DRD3ALDH1A1HTR4CCR3NPC1
SCHEMBL5577587 0.88 MT-CO2 (0.45) DRD4DRD2DRD3HTR4RAB9A
SCHEMBL5577605 0.86 LMNA (0.45) DRD4DRD2DRD3HTR4CCR3
SCHEMBL5577408 0.85 GAA (0.51) ALDH1A1POLBGAAACKR3
SCHEMBL5577384 0.85 ALDH1A1 (0.41) DRD4DRD2DRD3ALDH1A1POLB
SCHEMBL5577486 0.84 DRD2 (0.47) DRD4DRD2DRD3ALDH1A1POLB
SCHEMBL5577431 0.84 MT-CO2 (0.46) DRD3ALDH1A1HTR4SIGMAR1ACKR3
SCHEMBL5577778 0.84 ALDH1A1 (0.44) ALDH1A1
SCHEMBL5577426 0.84 PDE5A (0.41) DRD4DRD2DRD3ALDH1A1POLB
SCHEMBL5715680 0.83 LMNA (0.45) DRD4DRD2DRD3ALDH1A1POLB

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 DRD4 4092/4885DRD2 4468/4885DRD3 4080/4885

“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.