SCHEMBL3355486

SCHEMBL3355486

CCOC(=O)CCCc1ccc(C#N)c(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.83
CYP2D6 P10635 10/20 0.83
SLC6A2 P23975 8/20 0.83
SLC6A4 P31645 8/20 0.83
SLC6A3 Q01959 8/20 0.83
KCNH2 Q12809 8/20 0.83
ADRB2 P07550 5/20 0.83
ADRB3 P13945 1/20 0.53

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
SCHEMBL3355497 1.00 CASR (0.83) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3355494 1.00 CASR (0.83) CASRCYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7603298 0.99 CASR (0.83) CASRCYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7603308 0.99 CASR (0.83) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3350310 0.95 CASR (0.91) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3350307 0.95 CASR (0.91) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3350299 0.95 CASR (0.91) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7606034 0.95 CASR (0.91) CASRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7606040 0.95 CASR (0.91) CASRCYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7603277 0.95 CASR (0.91) CASRCYP2D6SLC6A2SLC6A4SLC6A3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141146-A1 Calcilytic compounds SmithKline Beecham Corporation (US) 2010-01-06 EP claimed
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
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP claimed
WO-2001053254-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-07-26 WO claimed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP claimed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 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
EP-1254106-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-09-14 EP 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
WO-2001053254-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-07-26 WO 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 10/4885CYP2D6 4480/4885SLC6A2 2280/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR CASR 10/4885CYP2D6 4480/4885SLC6A2 2280/4885

“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.