SCHEMBL11026459

SCHEMBL11026459

CS(=O)(=O)NC(=O)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(N3CCOCC3)c1)N2

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
CYP3A4 P08684 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KIF18A Q8NI77 1/20 0.36
CFTR P13569 2/20 0.36
MAPT P10636 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
F11 P03951 3/20 0.35
F7 P08709 3/20 0.35
F10 P00742 2/20 0.35
KMO O15229 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL47233 0.90 F10 (0.43) PRKAG1PRKAA1PRKAB1CYP2C19CYP3A4
SCHEMBL11027487 0.87 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1CYP2C19CYP3A4
SCHEMBL11023400 0.86 KMO (0.50) PRKAG1PRKAA1PRKAB1CYP2C19CYP3A4
SCHEMBL11024235 0.84 CYP2C19 (0.39) CYP2C19CYP3A4HDAC3HDAC1HDAC2
SCHEMBL11940880 0.81 CYP2C19 (0.40) CYP2C19CYP3A4HDAC3HDAC1HDAC2
SCHEMBL11940879 0.81 CYP2C19 (0.38) CYP2C19CYP3A4HDAC3HDAC1HDAC2
SCHEMBL11026483 0.79 F10 (0.45) CYP2C19CYP3A4HDAC3HDAC1HDAC2
SCHEMBL45312 0.78 F10 (0.47) CYP2C19CYP3A4HDAC3HDAC1HDAC2
SCHEMBL11027051 0.78 CHEK1 (0.40) PRKAG1PRKAA1PRKAB1CYP2C19CYP3A4
SCHEMBL11027687 0.78 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1MAPTALDH1A1

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 9 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
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
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US 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
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US 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.