SCHEMBL2993958

SCHEMBL2993958

N#Cc1ccc(Oc2ccc(C=O)c3ccccc23)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
MAP4K4 O95819 2/20 0.34
GABRA5 P31644 2/20 0.34
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 2/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL2986493 0.92 ALOX5AP (0.41) OPRM1ALOX5APFEN1MAP4K4GABRA5
SCHEMBL2984458 0.86 KMT2A (0.46) OPRM1ALOX5APFEN1MAP4K4GABRA5
SCHEMBL2986635 0.81 PDE4B (0.34) OPRM1ALOX5APFEN1MAP4K4GABRA5
SCHEMBL2996256 0.81 OPRM1 (0.34) OPRM1ALOX5APFEN1MAP4K4GABRA5
SCHEMBL3692397 0.81 ALOX5AP (0.41) OPRM1ALOX5APFEN1MAP4K4PDE4B
SCHEMBL2989756 0.80 SLC6A4 (0.43) PDE4BALDH1A1IMPDH2IMPDH1SMN1; SMN2
SCHEMBL3692464 0.77 KEAP1 (0.43) OPRM1ALOX5APFEN1GABRA5PDE4B
SCHEMBL2987024 0.76 OPRM1 (0.48) OPRM1SMN1; SMN2MAPT
SCHEMBL2995303 0.75 CA1 (0.39) ALDH1A1IMPDH2IMPDH1HTTL3MBTL1
SCHEMBL2985025 0.75 AR (0.56) CA1CA2

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 OPRM1 1/4885ALOX5AP 1990/4885FEN1 4869/4885

“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.