SCHEMBL41549

SCHEMBL41549

CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.52
CYP2C19 P33261 2/20 0.46
F11 P03951 10/20 0.44
F10 P00742 8/20 0.44
F7 P08709 8/20 0.44
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
PSMD14 O00487 1/20 0.41
MAPT P10636 1/20 0.41
KIF11 P52732 1/20 0.40
RXRA P19793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38

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
SCHEMBL11024176 0.92 KMO (0.52) KMOCYP2C19F11F10F7
SCHEMBL11025709 0.91 F7 (0.44) KMOCYP2C19F11F10F7
SCHEMBL11025706 0.91 KDM4E (0.49) F11F10F7MEN1ALDH1A1
SCHEMBL45198 0.91 PRKAG1 (0.47) KMOCYP2C19CYP3A4MEN1ALDH1A1
SCHEMBL11026479 0.90 CYP2C19 (0.41) KMOCYP2C19F11F10F7
SCHEMBL45781 0.90 F10 (0.45) KMOCYP2C19F11F10F7
SCHEMBL11026483 0.90 F10 (0.45) KMOCYP2C19F11F10F7
SCHEMBL11025237 0.89 F11 (0.44) F11F10F7MEN1ALDH1A1
SCHEMBL43252 0.89 F11 (0.44) KMOCYP2C19F11F10F7
SCHEMBL45312 0.87 F10 (0.47) KMOCYP2C19F11F10F7

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 16 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
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 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
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-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
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 (2 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 KMO 3477/4885CYP2C19 1776/4885F11 2989/4885
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 KMO 3089/4885CYP2C19 3308/4885F11 4266/4885

“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.