SCHEMBL3423701

SCHEMBL3423701

CN1[C@H]2CC[C@@H]1C=C(c1cccc3ccccc13)C2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.66
SLC6A4 P31645 6/20 0.66
SLC6A2 P23975 5/20 0.66
HTR1A P08908 4/20 0.48
HTR6 P50406 1/20 0.42
HTR7 P34969 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL6743669 0.85 SLC6A4 (0.58) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL8107623 0.84 SLC6A2 (0.57) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL8207336 0.81 SLC6A4 (0.71) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL5829586 0.79 SLC6A4 (0.69) SLC6A3SLC6A4SLC6A2HTR6NOS3
SCHEMBL1020818 0.79 SLC6A2 (0.69) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL1020817 0.79 SLC6A2 (0.69) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL5829683 0.79 SLC6A4 (0.69) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL2889995 0.78 SLC6A4 (0.63) SLC6A3SLC6A4SLC6A2HTR1AHTR6
SCHEMBL2889993 0.78 SLC6A4 (0.63) SLC6A3SLC6A4SLC6A2HTR1AHTR6
Hydrochloric Acid SCHEMBL1023640 0.78 SLC6A2 (0.68) SLC6A3SLC6A4SLC6A2HTR1AHTR6

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.