SCHEMBL45781

SCHEMBL45781

COC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
F11 P03951 1/20 0.45
F7 P08709 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.41
KMO O15229 1/20 0.39
CYP3A4 P08684 2/20 0.39
PRKDC P78527 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PLOD2 O00469 2/20 0.38
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 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
SCHEMBL11025215 0.93 MRGPRX4 (0.43) F10F11F7MRGPRX4MAPT
SCHEMBL11025379 0.92 F10 (0.48) F10F11F7MAPTALOX15
SCHEMBL11029499 0.90 F10 (0.45) F10F11F7MAPTCYP3A4
SCHEMBL41549 0.90 KMO (0.52) F10F11F7MAPTCYP2C19
SCHEMBL11026483 0.89 F10 (0.45) F10F11F7MAPTCYP2C19
SCHEMBL11025709 0.89 F7 (0.44) F10F11F7MAPTCYP2C19
SCHEMBL45312 0.89 F10 (0.47) F10F11F7MAPTCYP2C19
SCHEMBL11027487 0.89 PRKAG1 (0.43) F10F11F7MRGPRX4MAPT
SCHEMBL45198 0.88 PRKAG1 (0.47) MAPTCYP2C19KMOCYP3A4ALDH1A1
SCHEMBL45395 0.88 ALDH1A1 (0.41) F10F11F7MAPTCYP2C19

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