Sugi Predict

Sugi Predict / Compounds / SCHEMBL911447

SCHEMBL911447

SCHEMBL911447

CN1[C@@H]2CCC[C@H]1C[C@@H](Oc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.53
▸ SLC6A3 Q01959 3/20 0.53
▸ SLC6A4 P31645 2/20 0.50
▸ OPRK1 P41145 1/20 0.47
▸ CHRM1 P11229 1/20 0.45
▸ ERBB2 P04626 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ EPHA2 P29317 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ EPHB4 P54760 1/20 0.44
▸ FPR2 P25090 2/20 0.43
▸ PROKR1 Q8TCW9 2/20 0.43
▸ HRH1 P35367 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL911449 1.00 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL3976538 1.00 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL1177691 0.94 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL1177951 0.94 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL1177689 0.94 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL3975583 0.87 SLC6A3 (0.49) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL3975578 0.87 SLC6A3 (0.49) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
Fumaric Acid SCHEMBL1177615 0.83 OPRK1 (0.52) SLC6A2SLC6A3SLC6A4OPRK1HRH1
SCHEMBL1177378 0.82 SLC6A3 (0.56) SLC6A2SLC6A3SLC6A4OPRK1DRD3
SCHEMBL1177377 0.82 SLC6A3 (0.56) SLC6A2SLC6A3SLC6A4OPRK1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 — — US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 — — US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 — — US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 — — US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 — — US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 — — US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 — — WO 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-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 SLC6A2 1059/4885SLC6A3 339/4885SLC6A4 1776/4885

“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.