SCHEMBL7561591

SCHEMBL7561591

CN1C2CCC1CC(c1ccc(I)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.47
SLC6A3 Q01959 9/20 0.47
SLC6A2 P23975 7/20 0.47

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
SCHEMBL8812053 1.00 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL7561589 1.00 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL8205042 0.82 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL7352894 0.82 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL7458617 0.82 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL10194861 0.82 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL522190 0.81 SLC6A2 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL7560904 0.81 SLC6A2 (0.58) SLC6A4SLC6A3SLC6A2
SCHEMBL5971564 0.81 CHRM1 (0.58) SLC6A4SLC6A3SLC6A2
SCHEMBL4781131 0.81 SLC18A3 (0.49) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
EP-1233968-A2 TRANSITION METAL-CYCLOPENTADIENYL-TROPANE CONJUGATES YALE UNIVERSITY (US) 2002-08-28 EP disclosed
US-20020111486-A1 Transition metal-cyclopentadienyl-tropane conjugates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-08-15 US disclosed
WO-2001040239-A2 TRANSITION METAL-CYCLOPENTADIENYL-TROPANE CONJUGATES YALE UNIVERSITY (US) 2001-06-07 WO disclosed
EP-0988263-A1 PROCESS FOR THE PRODUCTION OF RADIOIODINATED NEURORECEPTOR AGENTS Map Medical Technologies Oy (FI) 2000-03-29 EP disclosed
WO-1998057909-A1 PROCESS FOR THE PRODUCTION OF RADIOIODINATED NEURORECEPTOR AGENTS MAP MEDICAL TECHNOLOGIES OY (FI) 1998-12-23 WO disclosed
WO-1997012513-A1 DOPAMINE TRANSPORTER KNOCKOUT MICE DUKE UNIVERSITY (US) 1997-04-10 WO disclosed
EP-0542903-A4 COCAINE RECEPTOR BINDING LIGANDS RES TRIANGLE INST (US) 1993-08-04 EP disclosed
EP-0542903-A1 COCAINE RECEPTOR BINDING LIGANDS. RES TRIANGLE INST (US) 1993-05-26 EP disclosed
WO-1992002260-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 1992-02-20 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-20020111486-A1 Transition metal-cyclopentadienyl-tropane conjugates SLC6A3, SLC18A2, SLC6A2 SLC6A4 5/4885SLC6A3 1/4885SLC6A2 3/4885
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT SLC6A4 554/4885SLC6A3 1034/4885SLC6A2 922/4885

“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.