SCHEMBL2996397

SCHEMBL2996397

CN1[C@H]2CC[C@@H]1[C@H](/C=N\O)[C@@H](c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.57
SLC6A4 P31645 8/20 0.57
SLC6A2 P23975 5/20 0.57

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
SCHEMBL2996400 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7457210 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7358580 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7353832 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7358592 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7358586 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7353829 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL2996399 1.00 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7457834 0.86 SLC6A3 (0.70) SLC6A3SLC6A4SLC6A2
SCHEMBL7457828 0.86 SLC6A3 (0.70) SLC6A3SLC6A4SLC6A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178342-A1 Solid Pharmaceutical Preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US claimed
US-7381733-B2 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases NEUROSEARCH A/S (DK) 2008-06-03 US claimed
EP-1453511-B1 TROPANE DERIVATIVES HAVING DOPAMINE REUPTAKE INHIBITOR ACTIVITY FOR THE TREATMENT OF ISCHEMIC DISEASES NEUROSEARCH AS (DK) 2006-11-15 EP claimed
US-20050203124-A1 Compounds for the sustained reduction of body weight BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US claimed
US-20050182089-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an N-methyl-D-aspartate (NMDA) receptors antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-20050182090-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and a dopamine agonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-20050154009-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an acetylcholinesterase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US claimed
US-20050020621-A1 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases SANIONA A/S (DK) 2005-01-27 US claimed
EP-1453511-A1 TROPANE DERIVATIVES HAVING DOPAMINE REUPTAKE INHIBITOR ACTIVITY FOR THE TREATMENT OF ISCHEMIC DISEASES NEUROSEARCH A/S (DK) 2004-09-08 EP claimed
WO-2003045388-A1 TROPANE DERIVATIVES HAVING DOPAMINE REUPTAKE INHIBITOR ACTIVITY FOR THE TREATMENT OF ISCHEMIC DISEASES NEUROSEARCH A/S (DK) 2003-06-05 WO claimed
EP-0756596-B1 TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH AS (DK) 2002-08-21 EP claimed
US-20100210626-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR FRIEDL THOMAS 2010-08-19 US disclosed
US-20100178342-A1 Solid Pharmaceutical Preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US disclosed
US-20080200498-A1 Pharmaceutical Composition For The Treatment Of Disorders Of Sexual Desire CECI ANGELO 2008-08-21 US disclosed
US-7381733-B2 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases NEUROSEARCH A/S (DK) 2008-06-03 US disclosed
US-20050182089-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an N-methyl-D-aspartate (NMDA) receptors antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-20050154009-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an acetylcholinesterase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
US-20050020621-A1 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases SANIONA A/S (DK) 2005-01-27 US disclosed
EP-0756596-B1 TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH AS (DK) 2002-08-21 EP disclosed
US-5736556-A PARKINSON*S DISEASE; ANTIDEPRESSANTS; ANTIOBESITY; ANTINARCOLEPSY; DRUG ABRUSE NEUROSEARCH A/S (DK) 1998-04-07 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 (8 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-20050154009-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an acetylcholinesterase inhibitor SLC18A3, ACHE, SLC6A2 SLC6A3 9/4885SLC6A4 8/4885SLC6A2 3/4885
US-20080200498-A1 Pharmaceutical Composition For The Treatment Of Disorders Of Sexual Desire SLC18A2, SLC6A3, SLC6A2 SLC6A3 2/4885SLC6A4 5/4885SLC6A2 3/4885
US-20050182089-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an N-methyl-D-aspartate (NMDA) receptors antagonist SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885SLC6A4 5/4885SLC6A2 2/4885
US-20050020621-A1 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases SLC6A2, SLC6A3, SLC18A2 SLC6A3 2/4885SLC6A4 5/4885SLC6A2 1/4885
US-20100178342-A1 Solid Pharmaceutical Preparation SLC6A2, SLC18A2, SLC6A3 SLC6A3 3/4885SLC6A4 6/4885SLC6A2 1/4885
US-20050203124-A1 Compounds for the sustained reduction of body weight SLC6A2, SLC6A3, SLC6A4 SLC6A3 2/4885SLC6A4 3/4885SLC6A2 1/4885
US-20100210626-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR SLC18A3, SLC6A2, SLC18A2 SLC6A3 9/4885SLC6A4 7/4885SLC6A2 2/4885
US-20050182090-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and a dopamine agonist SLC6A2, SLC6A3, SLC18A2 SLC6A3 2/4885SLC6A4 5/4885SLC6A2 1/4885

“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.