SCHEMBL2989414

SCHEMBL2989414

N#Cc1ccc(Oc2cccc3c(CO)cccc23)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
KCNH2 Q12809 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
AR P10275 3/20 0.37
TRPA1 O75762 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EPAS1 Q99814 2/20 0.35
CXCL8 P10145 1/20 0.34

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
SCHEMBL9710658 0.84 AR (0.42) SLC22A12ARTRPA1CYP11B1CYP11B2
SCHEMBL2991253 0.78 SLC22A12 (0.39) SLC22A12ARTRPA1CYP11B1CYP11B2
SCHEMBL9710776 0.77 NR5A1 (0.44)
SCHEMBL9711028 0.77 F9 (0.42) SLC22A12ARCYP11B1CYP11B2PTGDR2
SCHEMBL16415682 0.75 EPAS1 (0.40) SLC6A4KCNH2SLC22A12ARCYP11B1
SCHEMBL2995303 0.74 CA1 (0.39) SLC22A12ARCYP11B1CYP11B2USP30
SCHEMBL2994213 0.74 ALOX5AP (0.41) SLC6A4CYP11B1CYP11B2
SCHEMBL19622262 0.73 HTR2A (0.40) SLC6A4KCNH2SLC22A12ARUSP30
SCHEMBL8544623 0.72 AR (0.54) SLC6A4KCNH2SLC22A12ARCYP11B1
SCHEMBL1162443 0.71 FFAR1 (0.45) NR3C1PGRNR3C2

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 8 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
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 SLC6A4 492/4885SLC6A2 522/4885KCNH2 2408/4885

“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.