SCHEMBL4771934

SCHEMBL4771934

CC(C)OC(=O)Nc1ccccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
NLRP3 Q96P20 1/20 0.57
GAA P10253 5/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 4/20 0.53
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
GLA P06280 1/20 0.48
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL514620 0.83 GAA (0.67) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL6415965 0.81 NLRP3 (0.64) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL514619 0.79 NLRP3 (0.57) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL30522593 0.79 L3MBTL1 (0.77) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL4774446 0.78 PDK1 (0.57) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL4773228 0.78 NLRP3 (0.82) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL514811 0.78 NLRP3 (0.57) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL30914163 0.78 PDK1 (0.57) L3MBTL1NLRP3GAAALDH1A1KDM4E
SCHEMBL7256712 0.77 GAA (0.56) GAAKDM4EHPGDMAOBSMN1; SMN2
SCHEMBL11798134 0.77 NPC1 (0.58) L3MBTL1ALDH1A1KDM4EHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 EP disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
CN-101014343-A Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORP (US) 2007-08-08 CN disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 US disclosed
WO-2005082079-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 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 (1 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-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP L3MBTL1 2626/4885NLRP3 547/4885GAA 116/4885

“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.