SCHEMBL3431822

SCHEMBL3431822

COC(=O)C1CC[C@@H]2CC[C@H]1N2C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.49
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 7/20 0.49

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
SCHEMBL16589358 1.00 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL13555769 1.00 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL3431819 1.00 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL16901579 1.00 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL7955532 0.91 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4
SCHEMBL7948319 0.91 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4
SCHEMBL7955883 0.91 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4
Benzoic Acid SCHEMBL21175034 0.84 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4
SCHEMBL6743581 0.80 KCNH2 (0.48)
SCHEMBL13015335 0.80 KCNH2 (0.48)

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 16 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-1429811-A4 THEURAPEUTIC TROPANE COMPOUNDS HARVARD COLLEGE (US) 2006-05-17 EP disclosed
EP-1429811-A4 THEURAPEUTIC TROPANE COMPOUNDS HARVARD COLLEGE (US) 2006-05-17 EP disclosed
EP-1518562-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP disclosed
EP-1518561-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP disclosed
EP-1429811-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-23 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-6548041-B1 Diagnosis, therapy of central nervous system disorders ORGANIX, INC. 2003-04-15 US disclosed
WO-2003015830-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-02-27 WO disclosed
WO-2003015830-A1 THEURAPEUTIC TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-02-27 WO 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 (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-20020131931-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SLC6A3 1/4885SLC6A2 4/4885SLC6A4 3/4885
US-20030125352-A1 Therapeutic tropane compounds HTT, GAP43, MAPT SLC6A3 23/4885SLC6A2 9/4885SLC6A4 83/4885
US-20070009432-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SLC6A3 1/4885SLC6A2 4/4885SLC6A4 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.