SCHEMBL2138673

SCHEMBL2138673

CC(C)(Nc1cccc(C2CC(C)(C)c3cc(C(F)(F)F)ccc3N2)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CASR P41180 3/20 0.37
KIF11 P52732 3/20 0.35
GUSB P08236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F10 P00742 5/20 0.34
F11 P03951 5/20 0.34
F7 P08709 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
GRIN2B Q13224 1/20 0.34
EP300 Q09472 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL2133470 0.87 F11 (0.36) ALDH1A1F10F11F7
SCHEMBL2135434 0.87 PRKAG1 (0.37) CASRF10F11F7
Bicarbonate SCHEMBL16240210 0.85 LMNA (0.37) LMNACASRKIF11GUSBKDM4E
SCHEMBL2136556 0.84 F11 (0.43) ALDH1A1F10F11F7GRIN2B
SCHEMBL2138497 0.84 HSPA9 (0.39) LMNACASRKIF11GUSBKDM4E
SCHEMBL2136517 0.82 KIF11 (0.46) LMNAKIF11KDM4EALDH1A1MAPK1
SCHEMBL2136176 0.80 PKM (0.46) LMNAALDH1A1SMN1; SMN2BRD4
SCHEMBL2133810 0.80 HSPA9 (0.36) LMNASMN1; SMN2GRIN2BTRPV1EPHX2
SCHEMBL2138495 0.80 KIF11 (0.40) KIF11KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL2729727 0.79 F7 (0.43) GUSBKDM4EALDH1A1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US claimed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 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 (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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 LMNA 3389/4885CASR 2469/4885KIF11 3851/4885

“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.