SCHEMBL2138997

SCHEMBL2138997

COC(=O)c1cc(Cl)cc2c1NC(c1cccc(Br)c1)CC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PDK2 Q15119 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ SERPINH1 P50454 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CXCR5 P32302 1/20 0.33
▸ APLNR P35414 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
SCHEMBL11025003 0.88 TSHR (0.39) TSHRNPSR1POLBSLC6A3F10
SCHEMBL2140705 0.88 TSHR (0.41) TSHRNPSR1POLBSLC6A3F10
SCHEMBL11026450 0.81 TSHR (0.42) TSHRNPSR1PDK2POLBF10
SCHEMBL11028491 0.76 F10 (0.44) TSHRNPSR1POLBF10F11
SCHEMBL45455 0.76 F11 (0.49) TSHRNPSR1POLBF10F11
SCHEMBL2533756 0.76 TSHR (0.39) TSHRNPSR1PDK2POLBSLC6A3
SCHEMBL11027705 0.75 F11 (0.35) F10F11F7GAAMAPT
SCHEMBL2532518 0.75 TSHR (0.39) TSHRNPSR1PDK2POLBSLC6A3
SCHEMBL11031120 0.74 F11 (0.34) PDK2F10F11F7GAA
SCHEMBL2138859 0.74 EPAS1 (0.42) POLBGAAMAPTKMT2AKDM4E

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
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
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
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
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-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

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 TSHR 779/4885NPSR1 766/4885PDK2 4021/4885
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 TSHR 1744/4885NPSR1 3508/4885PDK2 92/4885

“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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