SCHEMBL45139

SCHEMBL45139

CC1(O)CCN(C(=O)c2ccc3c(c2)C(C)(C)CC(c2cccc(N4CCOCC4)c2)N3)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PLOD2 O00469 2/20 0.37
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
IDH1 O75874 2/20 0.37
MGLL Q99685 1/20 0.36
FLT3 P36888 3/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMO O15229 1/20 0.36
GHSR Q92847 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSMD14 O00487 1/20 0.34

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
SCHEMBL45198 0.91 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1CYP2C19MEN1
SCHEMBL15760105 0.90 CYP2C19 (0.35) PRKAG1PRKAA1PRKAB1CYP2C19MEN1
SCHEMBL45267 0.89 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1CYP2C19MEN1
SCHEMBL41549 0.85 KMO (0.52) CYP2C19MEN1KMT2AMAPTKDM4E
SCHEMBL11025709 0.84 F7 (0.44) CYP2C19MEN1KMT2AMAPTPLOD2
SCHEMBL15751935 0.84 CYP2C19 (0.41) CYP2C19MEN1KMT2AMAPTPLOD2
SCHEMBL44971 0.83 MEN1 (0.41) PRKAG1PRKAA1PRKAB1CYP2C19MEN1
SCHEMBL45781 0.83 F10 (0.45) CYP2C19MEN1KMT2AMAPTPLOD2
SCHEMBL11026479 0.83 CYP2C19 (0.41) PRKAG1PRKAA1PRKAB1CYP2C19MEN1
SCHEMBL11026483 0.83 F10 (0.45) CYP2C19MEN1KMT2AMAPTPLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP claimed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP claimed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO claimed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 PRKAG1 3/4885PRKAA1 5/4885PRKAB1 2/4885

“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.