SCHEMBL45401

SCHEMBL45401

CCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)NC3CCC3)nc21

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.74
PRKAA1 Q13131 1/20 0.74
PRKAB1 Q9Y478 1/20 0.74
CNR1 P21554 7/20 0.38
GRM5 P41594 4/20 0.37
CNR2 P34972 1/20 0.36
IP6K1 Q92551 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 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
SCHEMBL15752034 0.86 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1MEN1ALDH1A1
SCHEMBL42946 0.85 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1IP6K1KMT2A
SCHEMBL44986 0.85 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IP6K1MEN1
SCHEMBL15751955 0.78 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1KMT2A
SCHEMBL11025424 0.76 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1
SCHEMBL11940917 0.76 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1IP6K1
SCHEMBL11025519 0.76 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IP6K1
SCHEMBL11025262 0.76 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1IP6K1
SCHEMBL2740540 0.76 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1KMT2A
SCHEMBL46899 0.73 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1GRM5IP6K1

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.