SCHEMBL4773988

SCHEMBL4773988

CCCCOC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
HPGD P15428 6/20 0.63
MAPT P10636 5/20 0.63
MAPK1 P28482 3/20 0.63
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
CASP1 P29466 1/20 0.63
MCL1 Q07820 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 4/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MGLL Q99685 2/20 0.55

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
SCHEMBL14376088 0.91 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7564852 0.87 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6347339 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2033732 0.84 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13387589 0.83 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL31079258 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10192215 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7564856 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL1699197 0.81 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT

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 RAB9A 1521/4885NPC1 4064/4885SMN1; SMN2 526/4885

“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.