SCHEMBL5596860

SCHEMBL5596860

CS(=O)(=O)NCCN1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.39
OGFRL1 Q5TC84 2/20 0.39
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CCR4 P51679 1/20 0.35
ROCK2 O75116 4/20 0.34
DRD2 P14416 2/20 0.34
KDM1A O60341 1/20 0.34
ROCK1 Q13464 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL5597027 0.88 CARM1 (0.40) ROCK2DRD2ROCK1
SCHEMBL5597043 0.86 PIK3CD (0.38)
SCHEMBL5596563 0.84 DRD2 (0.40) OPRK1ROCK2DRD2ROCK1DRD3
SCHEMBL5596515 0.84 DRD2 (0.39) ROCK2DRD2ROCK1DRD3
SCHEMBL5596712 0.84 DRD2 (0.33) ROCK2DRD2ROCK1DRD3
SCHEMBL5596494 0.83 DRD2 (0.36) ROCK2DRD2ROCK1DRD3
SCHEMBL5596830 0.83 DRD2 (0.36) ROCK2DRD2ROCK1DRD3
SCHEMBL5596548 0.83 PIK3CD (0.35)
SCHEMBL5596993 0.82 DRD2 (0.36) OGFRL1ROCK2DRD2ROCK1
SCHEMBL5596645 0.82 DRD2 (0.40) ROCK2DRD2ROCK1DRD3

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 US 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A OPRL1 712/4885OGFRL1 1112/4885OPRM1 691/4885

“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.