SCHEMBL2992748

SCHEMBL2992748

CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cn2)c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
OPRD1 P41143 10/20 0.43
OPRK1 P41145 9/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN1 Q05586 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
ROCK1 Q13464 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
NNMT P40261 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
PSMB5 P28074 2/20 0.36
PSMB1 P20618 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL2993233 0.89 OPRM1 (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2983904 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2992870 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2989517 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2992994 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3690788 0.80 OPRM1 (0.44) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2992878 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2997226 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL2984348 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL1532891 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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 claimed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US claimed
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
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 1/4885OPRD1 3/4885OPRK1 2/4885

“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.