SCHEMBL5596820

SCHEMBL5596820

NC1CCC(N2CCc3cnc(Cl)c4cccc2c34)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
RIPK2 O43353 2/20 0.33
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
PTPN11 Q06124 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
MEN1 O00255 1/20 0.32
HTR3B O95264 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR3A P46098 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL5597061 0.88 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1RIPK2
SCHEMBL5596752 0.87 PTPN11 (0.34) OPRM1OPRD1OPRK1OPRL1PTPN11
SCHEMBL5597208 0.87 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1RIPK2
SCHEMBL5596727 0.86 SCN9A (0.39) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5415547 0.86 HTR2C (0.44) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL5410528 0.86 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1RIPK2
SCHEMBL5596834 0.85 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596802 0.83 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596498 0.83 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1RIPK2
SCHEMBL5597105 0.83 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1SCD

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.