SCHEMBL2585041

SCHEMBL2585041

CC(C)(C)OC(=O)N1CCC2(CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.53
▸ GPR119 Q8TDV5 7/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.48
▸ CHEK2 O96017 1/20 0.46
▸ CCR5 P51681 1/20 0.44
▸ HRH1 P35367 1/20 0.43
▸ CCR3 P51677 1/20 0.43

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
SCHEMBL3282383 0.89 GPR119 (0.59) GPR119HRH3CHEK2HRH1CCR3
SCHEMBL5406049 0.86 GPR119 (0.48) GPR119HRH3CHEK2CCR5HRH1
SCHEMBL5462103 0.84 GPR119 (0.58) GPR119HRH3CHEK2HRH1CCR3
SCHEMBL5194646 0.84 CCR3 (0.47) GPR119HRH3CCR5HRH1CCR3
SCHEMBL5414237 0.83 GPR119 (0.52) GPR119HRH3CHEK2HRH1CCR3
SCHEMBL4720822 0.83 HRH1 (0.62) GPR119HRH3HRH1CCR3
SCHEMBL20570284 0.82 GPR119 (0.57) GPR119HRH3CHEK2
SCHEMBL5469410 0.81 USP30 (0.47) GPR119CHEK2HRH1CCR3
SCHEMBL16622456 0.81 GPR119 (0.50) GPR119CHEK2
SCHEMBL4140781 0.80 HRH1 (0.64) HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049012-B2 3-aza-spiro[5.5]undecane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-11-01 — — US disclosed
EP-1899303-B1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-09-15 — — EP disclosed
US-20090227613-A1 Novel 3-Aza-Spiro[5.5]Undecane Derivatives and Their Use As Monoamine Neurotransmitter Re-Uptake Inhibitors NEURO SEARCH A/S (DK) 2009-09-10 — — US disclosed
EP-1899303-A1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-19 — — EP disclosed
WO-2007000465-A1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-01-04 — — 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-20090227613-A1 Novel 3-Aza-Spiro[5.5]Undecane Derivatives and Their Use As Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 FFAR4 1027/4885GPR119 187/4885HRH3 913/4885

“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.

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