SCHEMBL11028627

SCHEMBL11028627

CC1(C(N)=O)CC(c2cccc(C(F)(F)F)c2)Nc2ccc([C]=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.38
▸ F10 P00742 9/20 0.37
▸ F11 P03951 9/20 0.37
▸ F7 P08709 9/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ NOTCH1 P46531 1/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 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
SCHEMBL11024203 0.84 F11 (0.47) F10F11F7NOTCH1CACNA1F
SCHEMBL11025275 0.83 F11 (0.40) F10F11F7
SCHEMBL11026883 0.83 F11 (0.37) F10F11F7
SCHEMBL11029248 0.81 F7 (0.35) F10F11F7
SCHEMBL11026011 0.81 F11 (0.38) F10F11F7
SCHEMBL11026441 0.80 PRKAG1 (0.48) F10F11F7
SCHEMBL11025707 0.79 CYP2C19 (0.40) F10F11F7CYP2C9MAPT
SCHEMBL11026346 0.78 F11 (0.39) F10F11F7
SCHEMBL11028638 0.76 F11 (0.47) GUSBF10F11F7KDM1A
SCHEMBL11026361 0.75 F7 (0.32) F10F11F7

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 8 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 claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
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 GUSB 4605/4885F10 2432/4885F11 2989/4885

“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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