SCHEMBL3348716

SCHEMBL3348716

CC(C)(Cc1ccc2ccccc2c1)NCC(O)COc1ccc(CCCC(=O)O)cc1C#N

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.91
SLC6A2 P23975 8/20 0.91
SLC6A4 P31645 8/20 0.91
SLC6A3 Q01959 8/20 0.91
KCNH2 Q12809 8/20 0.91
CYP2D6 P10635 10/20 0.77
ADRB2 P07550 5/20 0.77
ADRB3 P13945 1/20 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
SCHEMBL3348714 1.00 CASR (0.91) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3348707 1.00 CASR (0.91) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7608791 0.99 CASR (0.89) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7608783 0.99 CASR (0.89) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7608775 0.99 CASR (0.89) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3416801 0.95 CASR (0.82) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5949415 0.95 CASR (0.82) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3416797 0.95 CASR (0.82) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6377127 0.95 CASR (1.00) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6377132 0.95 CASR (1.00) CASRSLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254106-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-09-14 EP claimed
US-20040192741-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION & NPS PHARMACEUTICALS 2004-09-30 US claimed
US-20030018203-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-01-23 US claimed
EP-1254106-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-11-06 EP claimed
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US claimed
WO-2001053254-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-07-26 WO claimed
EP-2141146-A1 Calcilytic compounds SmithKline Beecham Corporation (US) 2010-01-06 EP disclosed
US-7109238-B2 Calcilytic compounds SMITH KLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20040192741-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION & NPS PHARMACEUTICALS 2004-09-30 US disclosed
US-20030018203-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-01-23 US disclosed
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 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-20030018203-A1 Calcilytic compounds SOST, CALCB, CALCR CASR 10/4885SLC6A2 2280/4885SLC6A4 2401/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR CASR 10/4885SLC6A2 2280/4885SLC6A4 2401/4885

“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.