SCHEMBL5596783

SCHEMBL5596783

Oc1ncc2c3c(cccc13)N(C1CCC(O)CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
SCD O00767 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
AURKA O14965 1/20 0.31
TYK2 P29597 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 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
SCHEMBL5410528 0.89 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596787 0.87 SCN9A (0.39) SCN9AOPRM1OPRD1OPRK1OPRL1
SCHEMBL5418022 0.87 HTR2C (0.44) SCDDRD2
SCHEMBL5408638 0.86 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5420136 0.86 NOS1 (0.41) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5408633 0.86 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5415061 0.86 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596400 0.83 KDM1A (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5423943 0.83 NOS3 (0.41) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596816 0.82 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1

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 SCN9A 1303/4885OPRM1 691/4885OPRD1 706/4885

“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.