SCHEMBL14925239

SCHEMBL14925239

C[C@@H](N)CCC(=O)OCc1ccc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.55
CYSLTR1 Q9Y271 9/20 0.55
CYP1A2 P05177 1/20 0.50
ALOX5 P09917 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL14925238 0.86 CYSLTR1 (0.48) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL28169944 0.76 CYSLTR1 (0.55) CYSLTR2CYSLTR1CYP1A2ALOX5GPBAR1
SCHEMBL3951227 0.76 GPBAR1 (0.52) CYSLTR2CYSLTR1CYP1A2ALOX5GPBAR1
SCHEMBL28015630 0.76 GPBAR1 (0.55) CYSLTR2CYSLTR1CYP1A2ALOX5GPBAR1
SCHEMBL3951224 0.76 GPBAR1 (0.55) CYSLTR2CYSLTR1CYP1A2ALOX5GPBAR1
SCHEMBL24235719 0.75 ALDH1A1 (0.54) CYP1A2
SCHEMBL22607077 0.75 ALDH1A1 (0.54) CYP1A2
SCHEMBL9286000 0.74 ALDH1A1 (0.58) CYSLTR2CYSLTR1CYP1A2ALOX5GPBAR1
SCHEMBL30484922 0.72 KMT2A (0.49) CYSLTR2CYSLTR1
SCHEMBL28728446 0.72 CYP1A2 (0.49) CYSLTR2CYSLTR1CYP1A2

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-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 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-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 CYSLTR2 1413/4885CYSLTR1 1563/4885CYP1A2 43/4885

“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.