SCHEMBL11026483

SCHEMBL11026483

CNC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.45
▸ F11 P03951 1/20 0.45
▸ F7 P08709 1/20 0.45
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ KMO O15229 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CDK2 P24941 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ PLOD2 O00469 2/20 0.38
▸ PLOD3 O60568 2/20 0.38
▸ PLOD1 Q02809 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ SETD2 Q9BYW2 1/20 0.38

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
SCHEMBL45312 0.90 F10 (0.47) F10F11F7CYP2C19MAPT
SCHEMBL41549 0.90 KMO (0.52) F10F11F7CYP2C19MAPT
SCHEMBL45781 0.89 F10 (0.45) F10F11F7CYP2C19MAPT
SCHEMBL11025709 0.89 F7 (0.44) F10F11F7CYP2C19MAPT
SCHEMBL45394 0.89 PRKD1 (0.40) CYP2C19MAPTCYP3A4PLOD2PLOD3
SCHEMBL45313 0.89 PRKD1 (0.40) CYP2C19MAPTCYP3A4PLOD2PLOD3
SCHEMBL47233 0.89 F10 (0.43) F10F11F7CYP2C19MAPT
SCHEMBL45198 0.88 PRKAG1 (0.47) CYP2C19MAPTKMOCYP3A4PLOD2
SCHEMBL45003 0.88 F10 (0.39) F10F11F7CYP2C19MAPT
SCHEMBL11940880 0.88 CYP2C19 (0.40) F10F11F7CYP2C19MAPT

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 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.

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