SCHEMBL45267

SCHEMBL45267

CC1(O)CCN(C(=O)c2ccc3c(c2)C(C)(C)CC(c2cc(F)cc(N4CCOCC4)c2)N3)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
HSD11B1 P28845 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP2C19 P33261 2/20 0.34
GHSR Q92847 1/20 0.34
BCL9 O00512 2/20 0.34
CTNNB1 P35222 2/20 0.34
FLT3 P36888 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 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
SCHEMBL45124 0.91 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1HSD11B1ALDH1A1
SCHEMBL45139 0.89 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1CYP3A4ALDH1A1
SCHEMBL42376 0.86 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1HSD11B1ALDH1A1
SCHEMBL11029216 0.85 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1HSD11B1ALDH1A1
SCHEMBL47271 0.84 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1HSD11B1GHSR
SCHEMBL15751988 0.83 FAAH (0.34) PRKAG1PRKAA1PRKAB1CYP2C9CYP1A2
SCHEMBL11025816 0.83 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1ALDH1A1KMT2A
SCHEMBL11027687 0.81 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1ALDH1A1AKT1
SCHEMBL45014 0.80 HTR1A (0.39) PRKAG1PRKAA1PRKAB1FLT3KMT2A
SCHEMBL45015 0.79 MAPT (0.40) PRKAG1PRKAA1PRKAB1ALDH1A1KMT2A

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.