SCHEMBL2235778

SCHEMBL2235778

NC(=O)CN1C2CCC1CC(Oc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 20/20 0.50
KCNH2 Q12809 18/20 0.50
OPRM1 P35372 15/20 0.50
OPRD1 P41143 7/20 0.50

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 SCHEMBL2239396 0.93 KCNH2 (0.47) OPRK1KCNH2OPRM1OPRD1
Fumaric Acid SCHEMBL2239387 0.93 KCNH2 (0.47) OPRK1KCNH2OPRM1OPRD1
SCHEMBL2238777 0.88 OPRK1 (0.46) OPRK1KCNH2OPRM1OPRD1
SCHEMBL2237517 0.83 OPRK1 (0.44) OPRK1KCNH2OPRM1OPRD1
SCHEMBL1177469 0.81 SLC6A2 (0.47) OPRK1KCNH2OPRM1OPRD1
SCHEMBL1177467 0.81 SLC6A2 (0.47) OPRK1KCNH2OPRM1OPRD1
SCHEMBL1177823 0.79 KCNH2 (0.56) OPRK1KCNH2OPRM1
SCHEMBL1177821 0.79 KCNH2 (0.56) OPRK1KCNH2OPRM1
Fumaric Acid SCHEMBL2235697 0.78 KCNH2 (0.41) OPRK1KCNH2OPRM1OPRD1
Fumaric Acid SCHEMBL2235710 0.78 KCNH2 (0.41) OPRK1KCNH2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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 OPRK1 185/4885KCNH2 1080/4885OPRM1 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 OPRK1 185/4885KCNH2 1080/4885OPRM1 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.