SCHEMBL4144592

SCHEMBL4144592

CN1C2CCC1C(C=NO)C(c1ccc(F)cc1)C2

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.56
SLC6A2 P23975 6/20 0.56
SLC6A4 P31645 5/20 0.56

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
SCHEMBL4144590 1.00 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL7457828 0.87 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4
SCHEMBL7457834 0.87 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4
SCHEMBL7457839 0.87 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4
SCHEMBL5731527 0.85 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL13752147 0.85 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL7664902 0.83 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL7353829 0.81 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL7358586 0.81 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL7358592 0.81 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208415-A1 Tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-20 US disclosed
US-7476740-B2 Monoamine transporter inhibitors; used for early diagnosis and treatment of neurological and psychiatric conditions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-01-13 US disclosed
EP-1483237-A4 TROPANE COMPOUNDS HARVARD COLLEGE (US) 2006-07-05 EP disclosed
EP-1483237-A2 TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-12-08 EP disclosed
US-20030232819-A1 Tropane compounds WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-12-18 US disclosed
WO-2003099783-A2 TROPANE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-12-04 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 (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-20030232819-A1 Tropane compounds TPM3, TPM4, ADRA2C SLC6A3 196/4885SLC6A2 93/4885SLC6A4 217/4885
US-20090208415-A1 Tropane compounds TPM3, TPM4, ADRA2C SLC6A3 196/4885SLC6A2 93/4885SLC6A4 217/4885

“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.