SCHEMBL5000882

SCHEMBL5000882

Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)O)N3C)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.74
SLC6A2 P23975 5/20 0.74
SLC6A4 P31645 3/20 0.74
CHRNA1 P02708 1/20 0.71
CHRNG P07510 1/20 0.71
ITGA5 P08648 1/20 0.71
CHRNB1 P11230 1/20 0.71
CHRNB2 P17787 1/20 0.71
CHRNB4 P30926 1/20 0.71
CHRNA3 P32297 1/20 0.71
CHRNA4 P43681 1/20 0.71
CHRND Q07001 1/20 0.71

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
SCHEMBL7288917 1.00 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL7288922 1.00 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL5000883 1.00 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL9405507 0.89 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL9405545 0.89 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL9405509 0.89 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL15516162 0.89 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7088802 0.89 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7669406 0.89 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7289188 0.88 SLC6A3 (0.75) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568805-B1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2019-05-01 EP claimed
US-20160354359-A1 COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR XVIVO PERFUSION AB (SE) 2016-12-08 US claimed
EP-2568805-B1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2019-05-01 EP disclosed
US-10271540-B2 Medical fluid, a method of treatment and use of the fluid XVIVO PERFUSION AB (SE) 2019-04-30 US disclosed
US-20160354359-A1 COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR XVIVO PERFUSION AB (SE) 2016-12-08 US disclosed
US-20160338343-A1 MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2016-11-24 US disclosed
US-20130065218-A1 MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID VIVOLINE MEDICAL AB (SE) 2013-03-14 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
US-20050197360-A1 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 2005-09-08 US disclosed
EP-0993301-B1 COCAINE RECEPTOR BINDING LIGANDS RES TRIANGLE INST (US) 2003-04-09 EP disclosed
US-6531483-B1 Treating psychostimulant abuse, inhibiting action of psychostimulant, inhibiting neurotransmitter re-uptake, treating Parkinson's Disease, treating depression RESEARCH TRIANGLE INSTITUTE 2003-03-11 US disclosed
US-20030023090-A1 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE 2003-01-30 US disclosed
EP-1079833-A4 COCAINE RECEPTOR BINDING LIGANDS RES TRIANGLE INST (US) 2002-12-18 EP disclosed
US-6350758-B1 NOVEL ANALOGS OF COCAINE, ENHANCED ANALGESIC AND/OR VASOCONSTRICTIVE PROPERTIES, INHIBIT THE UPTAKE OF DOPAMINE OR SEROTONIN SO USEFUL FOR TREATING PARKINSON'S DISEASE, DEPRESSION, OR OBESITY, TREATING COCAINE ABUSE, COCAINE GEORGETOWN UNIVERSITY 2002-02-26 US disclosed
US-6329520-B1 USED AS IMAGING OR PHARMACEUTICAL AGENTS, IN THE DIAGNOSIS AND TREATMENT OF DRUG ADDICTION, DEPRESSION, ANOREXIA AND NEURODEGENERATIVE DISEASES OR IN DETERMINING DOSES OF THERAPEUTIC AGENTS THAT OCCUPY MANY RECEPTORS RESEARCH TRIANGLE INSTITUTE 2001-12-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030023090-A1 Cocaine receptor binding ligands OPRL1, SLC18A2, SLC6A3 SLC6A3 3/4885SLC6A2 6/4885SLC6A4 5/4885
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.