SCHEMBL5000852

SCHEMBL5000852

CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](c1ccc(Cl)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.75
SLC6A2 P23975 8/20 0.75
SLC6A4 P31645 8/20 0.75

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
SCHEMBL7281914 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281917 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL9129528 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281762 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281769 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL5000854 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL8694109 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7089372 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7088777 0.90 SLC6A3 (0.77) SLC6A3SLC6A2SLC6A4
SCHEMBL5007318 0.88 SLC6A3 (0.73) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114487184-B Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof 江苏省原子医学研究所 2023-09-22 CN claimed
EP-0905135-A2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 1999-03-31 EP claimed
CN-114487184-B Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof 江苏省原子医学研究所 2023-09-22 CN disclosed
CN-114487184-B Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof 江苏省原子医学研究所 2023-09-22 CN disclosed
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US disclosed
US-20080153870-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2008-06-26 US disclosed
US-7291737-B2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 2007-11-06 US disclosed
US-7189737-B2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 2007-03-13 US disclosed
EP-0905135-B1 Cocaine receptor binding ligands RES TRIANGLE INST (US) 2006-09-06 EP disclosed
US-20050197360-A1 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 2005-09-08 US disclosed
US-6706880-B2 USED AS IMAGING OR PHARMACEUTICAL AGENTS, IN THE DIAGNOSIS AND THERAPY OF DRUG ADDICTION, DEPRESSION, ANOREXIA AND NEURODEGENERATIVE DISEASES RESEARCH TRIANGLE INSTITUTE 2004-03-16 US disclosed
EP-1079833-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2001-03-07 EP disclosed
WO-1999061023-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 1999-12-02 WO disclosed
US-5935953-A TROPANE DERIVATIVES AS INHIBITORS TO REDUCE THE FEEDING OF AND DELAYING THE MATURATION OF THE INSECTS AND PESTS; INHIBITORS OF A PHENYLETHANOLAMINE, E.G.OCTOPAMINE, REUPTAKE TRANSPORTER; PESTICIDES; PESTISTATS; INSECTICIDES RESEARCH TRIANGLE INSTITUTE (US) 1999-08-10 US disclosed
EP-0644775-B1 Cocaine Receptor Binding Ligands RES TRIANGLE INST (US) 1999-08-04 EP disclosed
EP-0905135-A2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 1999-03-31 EP disclosed
US-5736123-A TRIALKYLTIN CHEMICAL INTERMEDIATES RESEARCH TRIANGLE INSTITUTE (US) 1998-04-07 US disclosed
US-5496953-A DOPAMINE TRANSPORTER SITES, RADIOACTIVE, DIAGNOSIS, IMAGING, NORTROPANE DERIVATIVES RESEARCH TRIANGLE INSTITUTE (US) 1996-03-05 US disclosed
US-5380848-A 8-azabicyclo(3.2.1)octanes RESEARCH TRIANGLE INSTITUTE (US) 1995-01-10 US disclosed
WO-1993009814-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 1993-05-27 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-20080153870-A1 COCAINE RECEPTOR BINDING LIGANDS SLC18A2, SLC6A3, SLC18A3 SLC6A3 2/4885SLC6A2 4/4885SLC6A4 11/4885
US-20050197360-A1 Cocaine receptor binding ligands SLC18A2, SLC6A3, SLC18A3 SLC6A3 2/4885SLC6A2 4/4885SLC6A4 11/4885

“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.