SCHEMBL3351439

SCHEMBL3351439

CCOC(=O)CCc1ccc(C#N)c(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
S1PR1 P21453 2/20 0.46
CYP2D6 P10635 3/20 0.45
ADRB2 P07550 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
KMT2A Q03164 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TNF P01375 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL7605997 0.87 CYP4F2 (0.51) CASRCYP4F2CYP4A11S1PR1CYP2D6
SCHEMBL9345335 0.84 CYP4F2 (0.56) CYP4F2CYP4A11ADRB2CYP4Z1PDE3B
SCHEMBL1337425 0.83 CYP4F2 (0.55) CASRCYP4F2CYP4A11S1PR1CYP2D6
SCHEMBL3348357 0.82 CYP4F2 (0.54) CASRCYP4F2CYP4A11CYP2D6ADRB2
SCHEMBL6416677 0.81 CYP4F2 (0.52) CASRCYP4F2CYP4A11S1PR1CYP2D6
SCHEMBL7603924 0.79 CASR (0.52) CASRCYP4F2CYP4A11S1PR1CYP2D6
SCHEMBL7603925 0.79 CASR (0.52) CASRCYP4F2CYP4A11S1PR1CYP2D6
SCHEMBL6376291 0.79 CYP4F2 (0.54) CASRCYP4F2CYP4A11CYP2D6ADRB2
SCHEMBL31395750 0.79 CYP4F2 (0.50) CASRCYP4F2CYP4A11S1PR1CYP2D6
SCHEMBL7602907 0.77 CASR (0.46) CASRCYP4F2CYP4A11S1PR1CYP2D6

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 19 patents. 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
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
EP-1254106-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-02-25 EP disclosed
EP-1383511-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-10-25 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
EP-1383511-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-05-18 EP disclosed
US-20040192741-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION & NPS PHARMACEUTICALS 2004-09-30 US disclosed
EP-1383511-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-28 EP disclosed
US-20040014723-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2004-01-22 US disclosed
US-20030018203-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-01-23 US disclosed
EP-1254106-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-11-06 EP disclosed
WO-2002034204-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-02 WO disclosed
WO-2001053254-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-07-26 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 (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-20040014723-A1 Calcilytic compounds SOST, CALCB, CALCR CASR 10/4885CYP4F2 2478/4885CYP4A11 3736/4885
US-20030018203-A1 Calcilytic compounds SOST, CALCB, CALCR CASR 10/4885CYP4F2 2478/4885CYP4A11 3736/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR CASR 10/4885CYP4F2 2478/4885CYP4A11 3736/4885

“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.