SCHEMBL11027487

SCHEMBL11027487

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
F10 P00742 1/20 0.43
F11 P03951 1/20 0.43
F7 P08709 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ALOX15 P16050 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 1/20 0.38
KMO O15229 1/20 0.38
PRKDC P78527 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLOD2 O00469 2/20 0.37

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 0.90 F10 (0.43) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11023400 0.89 KMO (0.50) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL45781 0.89 F10 (0.45) F10F11F7MRGPRX4ALOX15
SCHEMBL11026459 0.87 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11025215 0.83 MRGPRX4 (0.43) F10F11F7MRGPRX4ALOX15
SCHEMBL11025379 0.82 F10 (0.48) F10F11F7ALOX15MAPT
SCHEMBL11024272 0.82 F11 (0.47) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL45312 0.79 F10 (0.47) F10F11F7MAPTCYP2C19
SCHEMBL11029499 0.79 F10 (0.45) F10F11F7MAPTCYP3A4
SCHEMBL41549 0.78 KMO (0.52) F10F11F7MAPTCYP2C19

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 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.