SCHEMBL45126

SCHEMBL45126

CC(CO)(CO)NC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
F11 P03951 3/20 0.40
F7 P08709 3/20 0.40
CYP2C19 P33261 1/20 0.38
PLOD2 O00469 2/20 0.36
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
MAPT P10636 1/20 0.36
NTRK1 P04629 2/20 0.35
CYP3A4 P08684 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
KMO O15229 1/20 0.35
KIF18A Q8NI77 2/20 0.35
MAPK14 Q16539 2/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
MTOR P42345 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
SCHEMBL11026483 0.87 F10 (0.45) F10F11F7CYP2C19PLOD2
SCHEMBL45394 0.87 PRKD1 (0.40) CYP2C19PLOD2PLOD3PLOD1MAPT
SCHEMBL15752117 0.87 ACHE (0.38) CYP2C19MAPTCYP3A4
SCHEMBL45003 0.86 F10 (0.39) F10F11F7CYP2C19PLOD2
SCHEMBL45313 0.85 PRKD1 (0.40) CYP2C19PLOD2PLOD3PLOD1MAPT
SCHEMBL45312 0.85 F10 (0.47) F10F11F7CYP2C19PLOD2
SCHEMBL41549 0.84 KMO (0.52) F10F11F7CYP2C19PLOD2
SCHEMBL45257 0.84 PRMT5 (0.44) CYP2C19PLOD2PLOD3PLOD1MAPT
SCHEMBL45781 0.84 F10 (0.45) F10F11F7CYP2C19PLOD2
SCHEMBL11025709 0.84 F7 (0.44) F10F11F7CYP2C19PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 F10 2676/4885F11 4266/4885F7 4706/4885

“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.