SCHEMBL5596530

SCHEMBL5596530

NC1CC(N2CCCC(N3CCc4cncc5cccc3c45)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
GAA P10253 1/20 0.30
KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL5596537 0.92 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL5596832 0.85 HTR2C (0.40) GAAKDM2B
SCHEMBL5596912 0.85 GAA (0.34) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL5597140 0.83 MEN1 (0.41) OPRM1OPRD1OPRK1GAA
SCHEMBL5596726 0.83 GAA (0.36) GAAKDM2B
SCHEMBL5596693 0.81 DRD2 (0.40) OPRM1
SCHEMBL5421579 0.81 GPBAR1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596515 0.80 DRD2 (0.39)
SCHEMBL5596332 0.79 EED (0.39)
SCHEMBL5596319 0.79 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1GAA

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 OPRM1 691/4885OPRD1 706/4885OPRK1 772/4885

“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.