SCHEMBL11026744

SCHEMBL11026744

CCc1ccc(Br)cc1C1CC(C)(C)c2cc(C(=O)OC)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL11026378 0.88 F10 (0.38) TSHRCYP3A4NQO2F10F11
SCHEMBL11022524 0.87 ALDH1A1 (0.39) TSHRCYP3A4NQO2F10F11
SCHEMBL11025117 0.87 F7 (0.42) CYP3A4F10F11F7ALDH1A1
SCHEMBL45455 0.81 F11 (0.49) TSHRF10F11F7ALDH1A1
SCHEMBL11025134 0.77 F7 (0.41) TSHRCYP3A4F10F11F7
SCHEMBL45118 0.76 PRKAB2 (0.48) CYP3A4F10F11F7ALDH1A1
SCHEMBL11024397 0.76 PRKAG1 (0.45) NQO2F10F11F7ALDH1A1
SCHEMBL11029863 0.75 PRKAG1 (0.49) TSHRCYP3A4NQO2F10F11
SCHEMBL11025075 0.75 PRKAB2 (0.46) F10F11F7ALDH1A1MEN1
SCHEMBL11024121 0.74 TP53 (0.44) F10F11F7ALDH1A1MEN1

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 TSHR 779/4885CYP3A4 715/4885NQO2 230/4885

“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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