SCHEMBL6798156

SCHEMBL6798156

CN1C2CCC1[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 1.00
SLC6A4 P31645 8/20 1.00
SLC6A3 Q01959 8/20 1.00

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
SCHEMBL6798152 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL8419814 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL8416666 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL7665542 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL8416663 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL8520453 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL7660517 0.93 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL7662757 0.93 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL7662945 0.91 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3
SCHEMBL13595971 0.90 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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-20030023090-A1 Cocaine receptor binding ligands OPRL1, SLC18A2, SLC6A3 SLC6A2 6/4885SLC6A4 5/4885SLC6A3 3/4885

“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.