SCHEMBL2235487

SCHEMBL2235487

Clc1ccc(OC2CC3CCC(C2)N3Cc2ccccn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.53
OPRK1 P41145 7/20 0.53
OPRM1 P35372 2/20 0.53
NAAA Q02083 1/20 0.38
SLC6A4 P31645 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37

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
Fumaric Acid SCHEMBL2238207 0.91 KCNH2 (0.55) KCNH2OPRK1OPRM1
Fumaric Acid SCHEMBL2238216 0.91 KCNH2 (0.55) KCNH2OPRK1OPRM1
SCHEMBL2238309 0.81 KCNH2 (0.57) KCNH2OPRK1OPRM1
SCHEMBL2236776 0.77 KCNH2 (0.63) KCNH2OPRK1OPRM1SLC6A4
SCHEMBL2238212 0.77 OPRK1 (0.39) KCNH2OPRK1OPRM1
SCHEMBL1177892 0.75 SLC6A3 (0.51) KCNH2OPRK1SLC6A4
SCHEMBL1177891 0.75 SLC6A3 (0.51) KCNH2OPRK1SLC6A4
Fumaric Acid SCHEMBL2236891 0.75 KCNH2 (0.57) KCNH2OPRK1OPRM1
Fumaric Acid SCHEMBL2236898 0.75 KCNH2 (0.57) KCNH2OPRK1OPRM1
SCHEMBL2236158 0.74 KCNH2 (0.57) KCNH2OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713990-B2 3,8-substituted 8-AZA-bicyclo[3.2.1]octane derivatives and their use as monomine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-05-11 US claimed
US-20080004252-A1 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-01-03 US claimed
EP-1838705-A2 3,8-SUBSTITUTED 8-AZA-BICYCLO [3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-10-03 EP claimed
WO-2006075004-A2 3, 8 - SUBSTITUTED 8-AZA-BICYCLO[3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-07-20 WO claimed
US-7989470-B2 3,8-substituted 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-02 US disclosed
US-20100190821-A1 3,8-SUBSTITUTED 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-07-29 US disclosed
US-7713990-B2 3,8-substituted 8-AZA-bicyclo[3.2.1]octane derivatives and their use as monomine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-05-11 US disclosed
US-20080004252-A1 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-01-03 US disclosed
EP-1838705-A2 3,8-SUBSTITUTED 8-AZA-BICYCLO [3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-10-03 EP disclosed
WO-2006075004-A2 3, 8 - SUBSTITUTED 8-AZA-BICYCLO[3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-07-20 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 (2 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-20100190821-A1 3,8-SUBSTITUTED 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 KCNH2 1080/4885OPRK1 185/4885OPRM1 87/4885
US-20080004252-A1 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC18A3, SLC6A2 KCNH2 1080/4885OPRK1 185/4885OPRM1 87/4885

“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.