SCHEMBL1665121

SCHEMBL1665121

CC(=O)OC(Cc1ccccc1)C1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.48
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 5/20 0.48
DHFR P00374 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6535643 0.82 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL28174093 0.75 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL20833040 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL6889303 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL22461896 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL25339415 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL22260324 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL2691265 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL26725876 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
Levofacetoperane SCHEMBL15003778 0.73 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 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 (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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SLC6A3 2673/4885SLC6A2 3811/4885SLC6A4 2699/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SLC6A3 2673/4885SLC6A2 3811/4885SLC6A4 2699/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SLC6A3 2673/4885SLC6A2 3811/4885SLC6A4 2699/4885

“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.