SCHEMBL2138497

SCHEMBL2138497

CC1(C)CC(c2cccc(NC3(C(=O)O)CC3)c2)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA9 P38646 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GRIN2B Q13224 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FABP4 P15090 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ GUSB P08236 1/20 0.35
▸ GRM5 P41594 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
▸ CASR P41180 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
SCHEMBL2136073 0.86 PRKAG1 (0.37) GRIN2BF10F11F7
SCHEMBL2138673 0.84 LMNA (0.37) LMNAGRIN2BSMN1; SMN2BRD4CREBBP
Bicarbonate SCHEMBL16240210 0.84 LMNA (0.37) LMNASMN1; SMN2EPHX2KIF11GUSB
SCHEMBL2135981 0.83 F10 (0.43) GRIN2BF10F11F7GRM5
SCHEMBL2136517 0.82 KIF11 (0.46) LMNASMN1; SMN2BRD4CREBBPF11
SCHEMBL2135559 0.81 GRIN2B (0.38) HSPA9LMNAGRIN2BSMN1; SMN2FABP4
SCHEMBL2136176 0.80 PKM (0.46) LMNASMN1; SMN2BRD4ALDH1A1
SCHEMBL2138495 0.79 KIF11 (0.40) F11F7KIF11KDM4EALDH1A1
SCHEMBL2729727 0.79 F7 (0.43) F10F11F7GUSBKDM4E
SCHEMBL2133520 0.79 PKM (0.38) LMNAF11F7KIF11KDM4E

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 HSPA9 2074/4885LMNA 3389/4885GRIN2B 1681/4885

“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.

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