SCHEMBL11023400

SCHEMBL11023400

O=C(O)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.50
▸ PRKAG1 P54619 2/20 0.46
▸ PRKAA1 Q13131 2/20 0.46
▸ PRKAB1 Q9Y478 2/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ CYP2C19 P33261 1/20 0.42
▸ F11 P03951 7/20 0.41
▸ F10 P00742 5/20 0.41
▸ F7 P08709 5/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL47233 0.89 F10 (0.43) KMOPRKAG1PRKAA1PRKAB1CYP2C19
SCHEMBL11027487 0.89 PRKAG1 (0.43) KMOPRKAG1PRKAA1PRKAB1CYP2C19
SCHEMBL41549 0.87 KMO (0.52) KMOCYP2C19F11F10F7
SCHEMBL11026459 0.86 PRKAG1 (0.41) KMOPRKAG1PRKAA1PRKAB1CYP2C19
SCHEMBL11024176 0.81 KMO (0.52) KMOCYP2C19F11F10F7
SCHEMBL11025706 0.80 KDM4E (0.49) F11F10F7MEN1KMT2A
SCHEMBL11025709 0.79 F7 (0.44) KMOCYP2C19F11F10F7
SCHEMBL45198 0.78 PRKAG1 (0.47) KMOPRKAG1PRKAA1PRKAB1CYP2C19
SCHEMBL11026479 0.77 CYP2C19 (0.41) KMOPRKAG1PRKAA1PRKAB1CYP2C19
SCHEMBL45781 0.77 F10 (0.45) KMOCYP2C19F11F10F7

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 KMO 3477/4885PRKAG1 2822/4885PRKAA1 2934/4885

“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.

Send feedback