SCHEMBL5596599

SCHEMBL5596599

NCC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 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
PTPN11 Q06124 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
DRD2 P14416 2/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL5421579 0.86 GPBAR1 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596842 0.84 GPBAR1 (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5413655 0.84 DRD2 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5415719 0.83 ROCK2 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5410533 0.82 GPBAR1 (0.35) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5405065 0.82 DRD2 (0.38) GPBAR1ROCK2ROCK1DRD2
SCHEMBL5410309 0.82 HTR2A (0.34) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5417474 0.82 ROCK2 (0.35) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5597062 0.81 SCN9A (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5410387 0.81 HTR2C (0.47) GPBAR1ROCK2ROCK1DRD2

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.