SCHEMBL5596567

SCHEMBL5596567

c1cc2c3c(cncc3c1)CCN2C1CCC(C2OCCO2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 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
SCHEMBL5596842 0.84 GPBAR1 (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596660 0.82
SCHEMBL5421579 0.82 GPBAR1 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596763 0.80
SCHEMBL5596759 0.80 HTR2A (0.31)
SCHEMBL5597062 0.80 SCN9A (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5410387 0.80 HTR2C (0.47) GPBAR1
SCHEMBL5597041 0.80 PARP1 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596687 0.79
SCHEMBL5596802 0.79 OPRM1 (0.31) 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 GPBAR1 2036/4885OPRM1 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.