SCHEMBL11026607

SCHEMBL11026607

CC1(C)CC(c2cncc(N3CCOCC3)c2)Nc2ccc(C(N)=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ F10 P00742 4/20 0.36
▸ F11 P03951 4/20 0.36
▸ F7 P08709 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ PLOD2 O00469 2/20 0.35
▸ PLOD3 O60568 2/20 0.35
▸ PLOD1 Q02809 2/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL11025475 0.92 KMO (0.40) F10F11F7MAPTGSK3B
SCHEMBL11025709 0.87 F7 (0.44) F10F11F7MAPTPLOD2
SCHEMBL11028354 0.87 SIRT2 (0.45) MAPTGSK3BPIK3CAMEN1ALDH1A1
SCHEMBL11027051 0.86 CHEK1 (0.40) MAPTGSK3BCHEK1PRKAG1PRKAA1
SCHEMBL11029216 0.85 PRKAG1 (0.41) F10F11F7MAPTPRKAG1
SCHEMBL11940904 0.85 SCN9A (0.40) MAPTGSK3BRIPK2
SCHEMBL11027123 0.85 MAPT (0.36) CHRNB2CHRNA4F10F11F7
SCHEMBL11028020 0.81 PRKAG1 (0.40) MAPTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL11028243 0.80 PRKAG1 (0.39) MAPTPRKAG1PRKAA1PRKAB1MEN1
SCHEMBL11026479 0.80 CYP2C19 (0.41) F10F11F7MAPTPRKAG1

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 2 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
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 MKNK1 3383/4885MKNK2 3048/4885CHRNB2 2559/4885

“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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