SCHEMBL4996780

SCHEMBL4996780

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.73
SLC6A2 P23975 6/20 0.73
SLC6A4 P31645 4/20 0.73
CHRNA1 P02708 2/20 0.70
CHRNG P07510 2/20 0.70
ITGA5 P08648 2/20 0.70
CHRNB1 P11230 2/20 0.70
CHRNB2 P17787 2/20 0.70
CHRNB4 P30926 2/20 0.70
CHRNA3 P32297 2/20 0.70
CHRNA4 P43681 2/20 0.70
CHRND Q07001 2/20 0.70

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
SCHEMBL4996786 1.00 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL14607439 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL5007320 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL8940223 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL15630452 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL5007318 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL8940225 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL6792848 0.88 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4
SCHEMBL7288917 0.88 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL5000882 0.88 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20030203934-A1 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 2003-10-30 US 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-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 (4 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
US-20030203934-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.