SCHEMBL3346802

SCHEMBL3346802

CC(C)OC(=O)CCc1ccc(C#N)cc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MGLL Q99685 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
DRD4 P21917 1/20 0.34
SSTR4 P31391 1/20 0.33
VDR P11473 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3346797 0.79 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL11021516 0.75 ALDH1A1 (0.46) ALDH1A1MGLLMAPT
SCHEMBL26750381 0.73 ALDH1A1 (0.58) ALDH1A1GLADRD4SSTR4VDR
SCHEMBL1789837 0.73 ALDH1A1 (0.43) ALDH1A1GLAMGLLFFAR1FFAR4
SCHEMBL24328865 0.71 ALDH1A1 (0.44) ALDH1A1GLADRD4SSTR4MAPT
SCHEMBL11761868 0.70 AR (0.47) ALDH1A1GLADRD4USP2MAPT
SCHEMBL11749561 0.70 AR (0.50) ALDH1A1GLADRD4USP2MAPT
SCHEMBL6618622 0.70 ALDH1A1 (0.57) ALDH1A1GLADRD4SSTR4VDR
SCHEMBL10915417 0.69 ALDH1A1 (0.52) ALDH1A1GLAMGLL
SCHEMBL6872097 0.68 CHRNB4 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1254106-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-11-06 EP 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 (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 ALDH1A1 4747/4885GLA 240/4885MGLL 4014/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR ALDH1A1 4747/4885GLA 240/4885MGLL 4014/4885

“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.