SCHEMBL11940916

SCHEMBL11940916

CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2cnc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ IP6K1 Q92551 1/20 0.37
▸ SCN9A Q15858 15/20 0.36
▸ SCN5A Q14524 4/20 0.36
▸ GRIN2A Q12879 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.33
▸ MGAT2 Q10469 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
SCHEMBL11940917 0.84 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1IP6K1SCN9A
SCHEMBL11026964 0.84 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1
SCHEMBL11024277 0.83 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1
SCHEMBL11025424 0.74 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1SCN9ASCN5A
SCHEMBL11026040 0.73 PRKAG1 (0.44) PRKAG1PRKAA1PRKAB1
SCHEMBL11940878 0.72 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1IP6K1SCN9A
SCHEMBL45587 0.71 PRKAG1 (0.57) PRKAG1PRKAA1PRKAB1
SCHEMBL11024427 0.71 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1IP6K1
SCHEMBL11026442 0.70 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1IP6K1
SCHEMBL11940885 0.69 SCN9A (0.48) IP6K1SCN9ASCN5A

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 5 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-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US 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
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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