SCHEMBL2991685

SCHEMBL2991685

N#Cc1ccc(Oc2cccc3c(CBr)cccc23)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
OPRM1 P35372 1/20 0.39
PDE4B Q07343 1/20 0.34
GABRA5 P31644 1/20 0.34
HPGDS O60760 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
SLC6A4 P31645 1/20 0.33
HSD11B1 P28845 2/20 0.32
KEAP1 Q14145 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX3 P56373 2/20 0.31

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
SCHEMBL2994213 0.88 ALOX5AP (0.41) ALOX5APFEN1OPRM1PDE4BGABRA5
SCHEMBL14027095 0.87 ALOX5AP (0.41) ALOX5APFEN1OPRM1PDE4BGABRA5
SCHEMBL2995020 0.82 ALOX5AP (0.37) ALOX5APFEN1OPRM1GABRA5HPGDS
SCHEMBL2986975 0.80 OPRM1 (0.44) ALOX5APFEN1OPRM1EGLN2CYP1A2
SCHEMBL2984251 0.80 KEAP1 (0.46) ALOX5APFEN1OPRM1PDE4BGABRA5
SCHEMBL12852032 0.77 OPRM1 (0.39) ALOX5APFEN1OPRM1PDE4BEGLN2
SCHEMBL2986493 0.77 ALOX5AP (0.41) ALOX5APFEN1OPRM1PDE4BGABRA5
SCHEMBL12851933 0.75 MEN1 (0.41) ALOX5APFEN1OPRM1EGLN2
SCHEMBL12852066 0.75 OPRM1 (0.41) ALOX5APFEN1OPRM1HSD11B1
SCHEMBL15916450 0.74 ALOX5AP (0.48) ALOX5APFEN1OPRM1PDE4BGABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 ALOX5AP 1990/4885FEN1 4869/4885OPRM1 1/4885

“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.