SCHEMBL11028243

SCHEMBL11028243

CC1(C)CC(c2cc(N3CCOCC3)ccc2Cl)Nc2ccc(C(N)=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KIF11 P52732 2/20 0.36
JAK2 O60674 1/20 0.36
PRKDC P78527 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.36
MAP2 P11137 1/20 0.35
PSMD14 O00487 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRKAB2 O43741 1/20 0.35

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
SCHEMBL11027325 0.92 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11028020 0.90 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11025344 0.88 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11025530 0.87 SIRT2 (0.45) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL11025840 0.86 EPHX2 (0.42) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11026176 0.85 ELOVL6 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11940888 0.85 SCN9A (0.39) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11025709 0.83 F7 (0.44) MEN1KMT2AMAPTKIF11PSMD14
SCHEMBL11025981 0.81 KMO (0.43) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11029216 0.80 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A PRKAG1 2822/4885PRKAA1 2934/4885PRKAB1 2344/4885

“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.