SCHEMBL2225005

SCHEMBL2225005

OCc1ccc2ccc([N+](c3ccc4ccc(CO)nc4c3)(c3ccc4ccc(CO)nc4c3)c3ccc4ccc(CO)nc4c3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CYSLTR1 Q9Y271 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
PDE10A Q9Y233 1/20 0.32
S1PR4 O95977 1/20 0.31
MCHR1 Q99705 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL2272626 0.87 CCR1 (0.45) CCR1CYSLTR1GPBAR1PDE10AS1PR4
SCHEMBL2273496 0.74 BACE1 (0.52) CCR1CYSLTR1GPBAR1CYP1A2
SCHEMBL7809623 0.74 S1PR4 (0.49) CCR1PDE10AS1PR4MCHR1
SCHEMBL2672475 0.74 CCR1 (0.48) CCR1CYSLTR1GPBAR1PDE10AS1PR4
SCHEMBL7808283 0.74 CCR1 (0.48) CCR1CYSLTR1GPBAR1PDE10ACYP1A2
SCHEMBL12517340 0.74 CCR1 (0.48) CCR1CYSLTR1GPBAR1PDE10AS1PR4
SCHEMBL2223334 0.74 CYP1A2 (0.38) CYSLTR1GPBAR1CYP1A2
SCHEMBL243295 0.71 CYSLTR1 (0.57) CCR1CYSLTR1GPBAR1PDE10ACYP1A2
Hydrochloric Acid SCHEMBL3129974 0.69 CYSLTR1 (0.56) CCR1CYSLTR1GPBAR1PDE10ACYP1A2
SCHEMBL28496074 0.69 CYSLTR1 (0.56) CCR1CYSLTR1GPBAR1PDE10ACYP1A2

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 CCR1 3052/4885CYSLTR1 1563/4885GPBAR1 1913/4885

“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.