SCHEMBL759762

SCHEMBL759762

CCC(C)OC(=O)C(N)CCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ENPEP Q07075 3/20 0.41
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37

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
SCHEMBL3950980 0.95 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4379768 0.90 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19547632 0.83 GSR (0.41) GSRCYP1A2MAPTTLR2
SCHEMBL15459533 0.81 GSR (0.48) GSRCYP1A2TLR2
SCHEMBL19547631 0.81 GSR (0.48) GSRCYP1A2TLR2
SCHEMBL15154020 0.81 FFAR4 (0.40) ALDH1A1MAPTAKR1B1FFAR4FFAR1
Hydrochloric Acid SCHEMBL7001555 0.79 BHMT (0.42) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL10575817 0.79 CA12 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10575811 0.79 CA12 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1300542 0.79 NOD1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761495-B1 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS ALLERGAN INC (US) 2012-03-21 EP disclosed
EP-1765785-B1 PROSTAGLANDIN ANALOGS ALLERGAN INC (US) 2009-07-08 EP disclosed
US-7435746-B2 5-thiopiperdinyl prostaglandin E analogs ALLERGAN, INC. (US) 2008-10-14 US disclosed
US-7326698-B2 Prostaglandin analogs ALLERGAN, INC. (US) 2008-02-05 US disclosed
EP-1765785-A1 PROSTAGLANDIN ANALOGS Allergan, Inc. (US) 2007-03-28 EP disclosed
EP-1761495-A2 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS Allergan Inc. (US) 2007-03-14 EP disclosed
US-20070054893-A1 Prostaglandin analogs ALLERGAN, INC. 2007-03-08 US disclosed
US-20060281713-A1 5-Thiopiperdinyl prostaglandin e analogs OLD DAVID W 2006-12-14 US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 US disclosed
WO-2006014206-A1 PROSTAGLANDIN ANALOGS ALLERGAN, INC. (US) 2006-02-09 WO disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2005121086-A2 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2005-12-22 WO disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 GABRP 797/4885GABRD 708/4885GABRA1 231/4885
US-20060281713-A1 5-Thiopiperdinyl prostaglandin e analogs PTGES, PTGES2, ALOX5 GABRP 791/4885GABRD 1711/4885GABRA1 2574/4885
US-20070054893-A1 Prostaglandin analogs PTGIS, PTGES, PTGIR GABRP 1266/4885GABRD 2348/4885GABRA1 2648/4885

“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.