SCHEMBL3422758

SCHEMBL3422758

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C[C@@H]2CC[C@H]1N2C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
KCNH2 Q12809 1/20 0.42
DRD2 P14416 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CXCR2 P25025 1/20 0.31

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
SCHEMBL7560532 1.00 SLC6A4 (0.51) SLC6A4SLC6A3KCNH2DRD2KDM4E
SCHEMBL18586634 0.86 SLC6A4 (0.37) SLC6A4SLC6A3KCNH2L3MBTL1CRHBP
SCHEMBL18619467 0.82 CHRM2 (0.39) SLC6A4SLC6A3L3MBTL1CRHBPCRHR2
SCHEMBL8416511 0.80 SLC6A3 (0.51) SLC6A4SLC6A3KCNH2KDM4EALDH1A1
SCHEMBL14490103 0.76 DRD2 (0.34) DRD2CXCR2
SCHEMBL5407103 0.74 SLC6A3 (0.35) SLC6A4SLC6A3
SCHEMBL5407105 0.74 SLC6A3 (0.35) SLC6A4SLC6A3
SCHEMBL5402526 0.73 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL5402533 0.73 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL4693302 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518562-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP claimed
US-20020131931-A1 Boat tropanes WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-09-19 US claimed
EP-1051980-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-11-15 EP claimed
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
US-5935953-A TROPANE DERIVATIVES AS INHIBITORS TO REDUCE THE FEEDING OF AND DELAYING THE MATURATION OF THE INSECTS AND PESTS; INHIBITORS OF A PHENYLETHANOLAMINE, E.G.OCTOPAMINE, REUPTAKE TRANSPORTER; PESTICIDES; PESTISTATS; INSECTICIDES RESEARCH TRIANGLE INSTITUTE (US) 1999-08-10 US 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 SLC6A4 3/4885SLC6A3 1/4885KCNH2 3146/4885
US-20070009432-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SLC6A4 3/4885SLC6A3 1/4885KCNH2 3146/4885

“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.