SCHEMBL1709447

SCHEMBL1709447

BN1CCC(C#N)(C(=O)OCC)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNA3 P22001 1/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL102472 0.84 POLB (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1292327 0.83 ALDH1A1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3523 0.81 SMN1; SMN2 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2879833 0.81 SMN1; SMN2 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2505 0.80 SMN1; SMN2 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31380716 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL386890 0.77 SMN1; SMN2 (0.41) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL1972216 0.77 TSHR (0.40) ALDH1A1TSHRKMT2A
SCHEMBL1709463 0.77 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10235753 0.76 RET (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS OPRM1 2306/4885OPRD1 2417/4885OPRK1 2429/4885

“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.