SCHEMBL2989418

SCHEMBL2989418

CN1C2CC[C@@H]1[C@H](CO)[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60

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
SCHEMBL27523486 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL5730962 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL2989416 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL5306199 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL8696563 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL6944840 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL6944834 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL6574577 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL6573763 1.00 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL6152741 0.87 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513529-B1 TRIPLE MONOAMINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CHRONIC PAIN NEUROSEARCH AS (DK) 2011-12-14 EP claimed
US-20100178342-A1 Solid Pharmaceutical Preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 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-20050239824-A1 Triple monoamine reuptake inhibitors for the treatment of chronic pain NEUROSEARCH A/S (DK) 2005-10-27 US 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
EP-1513529-A1 TRIPLE MONOAMINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CHRONIC PAIN NEUROSEARCH A/S (DK) 2005-03-16 EP 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
WO-2003101453-A1 TRIPLE MONOAMINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CHRONIC PAIN NEUROSEARCH A/S (DK) 2003-12-11 WO claimed
EP-1513529-B1 TRIPLE MONOAMINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CHRONIC PAIN NEUROSEARCH AS (DK) 2011-12-14 EP disclosed
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-7459464-B2 Triple monoamine reuptake inhibitors for the treatment of chronic pain NEUROSEARCH A/S (DK) 2008-12-02 US disclosed
WO-1995028401-A1 TROPANE-2-ALDOXINE DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH A/S (DK) 1995-10-26 WO disclosed
US-5444070-A TREATING A DISEASE OR DISORDER WHICH IS RESPONSIVE TO THE INHIBITION OF DOPAMINE REUPTAKE BY ADMINISTERING A TROPANE DERIVATIVE NEUROSEARCH A/S (DK) 1995-08-22 US disclosed
US-5374636-A Antidrug abuse, antidepressants, antiParkinson activity NEUROSEARCH A/S (DK) 1994-12-20 US disclosed
US-5369113-A Certain 2,3-diphenyl-2-(1,2,4-oxadiazol-5-yl)tropanes useful as dopamide reuptake inhibitors NEUROSEARCH A/S (DK) 1994-11-29 US disclosed
EP-0604354-A2 Antidepressant and antiparkinsonian compounds NEUROSEARCH A/S (DK) 1994-06-29 EP 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 9/4885SLC6A2 3/4885SLC6A4 8/4885
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 3/4885SLC6A2 2/4885SLC6A4 5/4885
US-20050020621-A1 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases SLC6A2, SLC6A3, SLC18A2 SLC6A3 2/4885SLC6A2 1/4885SLC6A4 5/4885
US-20100178342-A1 Solid Pharmaceutical Preparation SLC6A2, SLC18A2, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885SLC6A4 6/4885
US-20050203124-A1 Compounds for the sustained reduction of body weight SLC6A2, SLC6A3, SLC6A4 SLC6A3 2/4885SLC6A2 1/4885SLC6A4 3/4885
US-20100210626-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR SLC18A3, SLC6A2, SLC18A2 SLC6A3 9/4885SLC6A2 2/4885SLC6A4 7/4885
US-20050239824-A1 Triple monoamine reuptake inhibitors for the treatment of chronic pain SLC6A2, SLC6A4, HTR5A SLC6A3 6/4885SLC6A2 1/4885SLC6A4 2/4885
US-20050182090-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and a dopamine agonist SLC6A2, SLC6A3, SLC18A2 SLC6A3 2/4885SLC6A2 1/4885SLC6A4 5/4885

“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.