SCHEMBL2972208

SCHEMBL2972208

c1ccc(CC(C2OCCO2)N2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.54
SLC6A2 P23975 13/20 0.54
SLC6A3 Q01959 5/20 0.51
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL493491 0.74 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL3959438 0.74 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL5442144 0.74 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL9367939 0.71 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL8773823 0.71 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL6618701 0.71 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL6618819 0.71 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL4131831 0.71 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL6171525 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL12847565 0.69 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 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 (1 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS SLC6A4 3271/4885SLC6A2 3670/4885SLC6A3 2494/4885

“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.