SCHEMBL2224048

SCHEMBL2224048

CC(=O)OCc1ccc2cc([N+](c3ccc4nc(COC(C)=O)ccc4c3)(c3ccc4nc(COC(C)=O)ccc4c3)c3ccc4nc(COC(C)=O)ccc4c3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYSLTR1 Q9Y271 5/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PDE10A Q9Y233 4/20 0.34
ALOX5 P09917 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
SCHEMBL2223334 0.90 CYP1A2 (0.38) CYP1A2CYP2C19CYSLTR1GPBAR1ALDH1A1
SCHEMBL14925219 0.81 PDE10A (0.40) GRM1CYP1A2CYP2C19CYSLTR1GPBAR1
SCHEMBL5466370 0.78 BACE1 (0.47) CYP2C19CYSLTR1ALDH1A1CYSLTR2
SCHEMBL3951224 0.77 GPBAR1 (0.55) CYP1A2CYP2C19CYSLTR1GPBAR1CYSLTR2
SCHEMBL14925246 0.77 PDE10A (0.37) GRM1CYP1A2CYP2C19CYSLTR1GPBAR1
SCHEMBL12517339 0.77 PDE10A (0.41) CYP1A2CYP2C19CYSLTR1GPBAR1ALDH1A1
SCHEMBL2672157 0.75 TERT (0.50) CYP1A2CYP2C19PDE10AALOX5
SCHEMBL14930078 0.75 CYP3A4 (0.40) CYSLTR1ALDH1A1PPARGPPARDPPARA
SCHEMBL2272626 0.75 CCR1 (0.45) GRM1CYSLTR1GPBAR1PDE10A
SCHEMBL14925257 0.72 PDE10A (0.38) CYP1A2CYP2C19CYSLTR1GPBAR1ALDH1A1

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-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
EP-2523937-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES Centre National De La Recherche Scientifique (FR) 2012-11-21 EP disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 WO 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-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 GRM1 2788/4885CYP1A2 43/4885CYP2C19 335/4885

“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.