SCHEMBL2994010

SCHEMBL2994010

NC(=O)c1ccc(Oc2ccc(CNC3CCN(C4CC4)CC3)c3ccccc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
OPRK1 P41145 9/20 0.42
KCNH2 Q12809 2/20 0.42
OPRM1 P35372 9/20 0.41
OPRD1 P41143 7/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
ROCK1 Q13464 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TACR1 P25103 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL2992162 0.90 OPRM1 (0.42) HRH3OPRK1KCNH2OPRM1OPRD1
SCHEMBL14026727 0.88 OPRK1 (0.44) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL2992081 0.88 HRH3 (0.44) HRH3OPRK1KCNH2OPRM1OPRD1
SCHEMBL2980170 0.87 OPRM1 (0.44) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL14026651 0.86 OPRK1 (0.43) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL2990447 0.86 OPRK1 (0.43) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL2987566 0.86 OPRK1 (0.43) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL2990445 0.86 OPRK1 (0.43) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL2990244 0.86 OPRK1 (0.43) OPRK1KCNH2OPRM1OPRD1GRIN2D
SCHEMBL2992073 0.85 OPRM1 (0.44) OPRK1KCNH2OPRM1OPRD1GRIN2D

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 6 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

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 HRH3 1047/4885OPRK1 2/4885KCNH2 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.