SCHEMBL11028491

SCHEMBL11028491

COC(=O)c1ccc2c(c1)NC(c1cccc(Br)c1)CC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.44
▸ F11 P03951 5/20 0.44
▸ F7 P08709 5/20 0.44
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALOX5 P09917 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL45455 0.92 F11 (0.49) F10F11F7TSHRNPSR1
SCHEMBL11026450 0.81 TSHR (0.42) F10F11F7TSHRNPSR1
SCHEMBL11025215 0.81 MRGPRX4 (0.43) F10F11F7ALDH1A1MEN1
SCHEMBL11024272 0.81 F11 (0.47) F10F11F7TSHRNPSR1
SCHEMBL11024121 0.81 TP53 (0.44) F10F11F7ALDH1A1MEN1
SCHEMBL2140705 0.80 TSHR (0.41) F10F11F7TSHRNPSR1
SCHEMBL11025134 0.77 F7 (0.41) F10F11F7TSHRALDH1A1
SCHEMBL11024163 0.76 F10 (0.47) F10F11F7TSHRALDH1A1
SCHEMBL2138997 0.76 TSHR (0.39) F10F11F7TSHRNPSR1
SCHEMBL11025003 0.76 TSHR (0.39) F10F11F7TSHRNPSR1

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

“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