SCHEMBL5401466

SCHEMBL5401466

COC(=O)C1C(c2ccc(Cl)c(Cl)c2)CC2CC(O)C1N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 1.00
SLC6A4 P31645 9/20 1.00
SLC6A2 P23975 1/20 0.67

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
SCHEMBL5420660 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5409334 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5398178 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL14519303 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5398172 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5407616 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5419455 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5404385 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5404392 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL5401462 1.00 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429811-A4 THEURAPEUTIC TROPANE COMPOUNDS HARVARD COLLEGE (US) 2006-05-17 EP claimed
EP-1429811-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-23 EP claimed
US-20030125352-A1 Therapeutic tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-07-03 US claimed
US-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-06-05 US claimed
WO-2003015830-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-02-27 WO claimed
US-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2007-10-18 US disclosed
US-7199132-B2 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2007-04-03 US disclosed
EP-1429811-A4 THEURAPEUTIC TROPANE COMPOUNDS HARVARD COLLEGE (US) 2006-05-17 EP disclosed
EP-1429811-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-23 EP disclosed
US-20030125352-A1 Therapeutic tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-07-03 US disclosed
US-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-06-05 US disclosed
WO-2003015830-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-02-27 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 (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-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A4 2/4885SLC6A2 1/4885
US-20030125352-A1 Therapeutic tropane compounds HTT, GAP43, MAPT SLC6A3 23/4885SLC6A4 83/4885SLC6A2 9/4885
US-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A4 2/4885SLC6A2 1/4885

“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.