SCHEMBL45258

SCHEMBL45258

CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2ccc(C(=O)OCC(O)C(N)=O)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.37
F7 P08709 10/20 0.37
F10 P00742 9/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMO O15229 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
PLOD1 Q02809 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL45395 0.90 ALDH1A1 (0.41) F11F7F10CYP2C19USP2
SCHEMBL45781 0.86 F10 (0.45) F11F7F10CYP2C19ALDH1A1
SCHEMBL11025709 0.86 F7 (0.44) F11F7F10CYP2C19ALDH1A1
SCHEMBL11026479 0.84 CYP2C19 (0.41) F11F7F10CYP2C19ALDH1A1
SCHEMBL41549 0.83 KMO (0.52) F11F7F10CYP2C19ALDH1A1
SCHEMBL45312 0.82 F10 (0.47) F11F7F10CYP2C19ALDH1A1
SCHEMBL45198 0.82 PRKAG1 (0.47) CYP2C19USP2ALDH1A1GAACYP3A4
SCHEMBL11026483 0.81 F10 (0.45) F11F7F10CYP2C19ALDH1A1
SCHEMBL45003 0.80 F10 (0.39) F11F7F10CYP2C19CYP3A4
SCHEMBL45257 0.80 PRMT5 (0.44) CYP2C19ALDH1A1PLOD2PLOD3PLOD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 F11 4266/4885F7 4706/4885F10 2676/4885

“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.