SCHEMBL11025280

SCHEMBL11025280

CC1(C)CC(c2cccc(N3CCOC3=O)c2)Nc2c(C(N)=O)cc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ CAMK1D Q8IU85 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ KDM1B Q8NB78 2/20 0.37
▸ RCOR1 Q9UKL0 2/20 0.37
▸ PARP1 P09874 2/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL11027034 0.92 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1KDM1AMAOA
SCHEMBL11029126 0.87 KDM1A (0.36) PRKAG1PRKAA1PRKAB1CAMK1DKDM1A
SCHEMBL11940908 0.85 KDM1A (0.34) PRKAG1PRKAA1PRKAB1CAMK1DKDM1A
SCHEMBL11025415 0.85 CYP2C19 (0.41) KDM1APARP1JAK1JAK3MEN1
SCHEMBL11030190 0.84 HTR1A (0.36) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL11025279 0.80 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1CAMK1DKDM1A
SCHEMBL11031120 0.77 F11 (0.34) PARP1ALDH1A1F10F11F7
SCHEMBL11026364 0.77 CYP2C19 (0.43) KDM1AMEN1ALDH1A1MAPTKMT2A
SCHEMBL11021499 0.76 ALDH1A1 (0.39) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL11027131 0.74 CYP2C19 (0.43) PARP1JAK1JAK3MEN1ALDH1A1

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 6 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
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 PRKAG1 2822/4885PRKAA1 2934/4885PRKAB1 2344/4885

“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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