SCHEMBL3419206

SCHEMBL3419206

COC(=O)C1=C(c2ccc3ccccc3c2)CC2CC[C@H]1N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 1.00
SLC6A4 P31645 9/20 1.00
SLC6A2 P23975 3/20 0.50
NR2F2 P24468 1/20 0.48

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
SCHEMBL3423706 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2NR2F2
SCHEMBL26683852 0.85 SLC6A3 (1.00) SLC6A3SLC6A4NR2F2
SCHEMBL4135623 0.84 SLC6A4 (0.72) SLC6A3SLC6A4
SCHEMBL4153951 0.84 SLC6A4 (0.72) SLC6A3SLC6A4
SCHEMBL4135621 0.84 SLC6A4 (0.72) SLC6A3SLC6A4
SCHEMBL3422718 0.82 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL3422723 0.82 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL8504814 0.82 SLC6A3 (0.70) SLC6A3SLC6A4SLC6A2
SCHEMBL16663685 0.81 SLC6A3 (1.00) SLC6A3SLC6A4NR2F2
SCHEMBL3420953 0.81 SLC6A3 (1.00) SLC6A3SLC6A4NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051980-B1 Dopamine transporter imaging agents HARVARD COLLEGE (US) 2010-12-15 EP disclosed
US-20070009432-A1 Boat tropanes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-01-11 US disclosed
US-7105678-B2 Boat tropanes ORGANIX, INC. (US) 2006-09-12 US disclosed
EP-1518561-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP disclosed
EP-1518562-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP disclosed
US-6548041-B1 Diagnosis, therapy of central nervous system disorders ORGANIX, INC. 2003-04-15 US disclosed
US-20020131931-A1 Boat tropanes WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-09-19 US disclosed
EP-1238978-A2 Intermediates for the synthesis of radiolabelled tropanes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-09-11 EP disclosed
EP-1051980-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-11-15 EP 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-20020131931-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SLC6A3 1/4885SLC6A4 3/4885SLC6A2 4/4885
US-20070009432-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SLC6A3 1/4885SLC6A4 3/4885SLC6A2 4/4885

“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.