SCHEMBL5596752

SCHEMBL5596752

NCC1CCC(N2CCc3cnc(Cl)c4cccc2c34)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.34
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CXCR4 P61073 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.30
DRD2 P14416 1/20 0.30
DCPS Q96C86 1/20 0.30
SCD O00767 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
SCHEMBL5596820 0.87 OPRM1 (0.34) PTPN11OPRM1OPRD1OPRK1OPRL1
SCHEMBL5415547 0.83 HTR2C (0.44) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL5596727 0.83 SCN9A (0.39) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596834 0.82 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596802 0.81 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5597226 0.80 PTPN11 (0.36) PTPN11PIM1PIM2CXCR4GPBAR1
SCHEMBL5596795 0.79 HTR2C (0.44) DRD2
SCHEMBL5596986 0.78 C5AR1 (0.39)
SCHEMBL5596599 0.78 GPBAR1 (0.36) PTPN11OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596658 0.78 CXCR4 (0.44) CXCR4

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 PTPN11 986/4885OPRM1 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.