SCHEMBL11025709

SCHEMBL11025709

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 11/20 0.44
▸ F10 P00742 10/20 0.44
▸ F11 P03951 10/20 0.44
▸ KMO O15229 1/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 2/20 0.40
▸ PLOD2 O00469 2/20 0.39
▸ PLOD3 O60568 2/20 0.39
▸ PLOD1 Q02809 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ STK4 Q13043 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL11026479 0.93 CYP2C19 (0.41) F7F10F11KMOCYP2C19
SCHEMBL41549 0.91 KMO (0.52) F7F10F11KMOCYP2C19
SCHEMBL11026014 0.91 F11 (0.48) F7F10F11MEN1ALDH1A1
SCHEMBL45198 0.90 PRKAG1 (0.47) KMOCYP2C19CYP3A4PLOD2PLOD3
SCHEMBL11025195 0.90 F7 (0.45) F7F10F11PLOD2PLOD3
SCHEMBL11026483 0.89 F10 (0.45) F7F10F11KMOCYP2C19
SCHEMBL45781 0.89 F10 (0.45) F7F10F11KMOCYP2C19
SCHEMBL45395 0.88 ALDH1A1 (0.41) F7F10F11KMOCYP2C19
SCHEMBL11026607 0.87 MKNK1 (0.39) F7F10F11PLOD2PLOD3
SCHEMBL11029216 0.87 PRKAG1 (0.41) F7F10F11MEN1PSMD14

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 F7 2297/4885F10 2432/4885F11 2989/4885

“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.

Send feedback