SCHEMBL2992073

SCHEMBL2992073

NC(=O)c1ccc(Oc2ccc(CN[C@H]3CC[C@@H](c4ccccc4)CC3)c3ccccc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.44
OPRK1 P41145 14/20 0.44
OPRD1 P41143 10/20 0.44
KCNH2 Q12809 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
ROCK1 Q13464 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
NNMT P40261 1/20 0.35

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
SCHEMBL2980567 1.00 OPRM1 (0.44) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL2980564 1.00 OPRM1 (0.44) OPRM1OPRK1OPRD1KCNH2GRIN2D
Hydrochloric Acid SCHEMBL2983629 0.99 OPRM1 (0.43) OPRM1OPRK1OPRD1KCNH2GRIN2D
Hydrochloric Acid SCHEMBL2983627 0.99 OPRM1 (0.43) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL13242169 0.95 OPRM1 (0.43) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL2980170 0.90 OPRM1 (0.44) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL2990244 0.89 OPRK1 (0.43) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL2990445 0.89 OPRK1 (0.43) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL2990447 0.89 OPRK1 (0.43) OPRM1OPRK1OPRD1KCNH2GRIN2D
SCHEMBL14026727 0.89 OPRK1 (0.44) OPRM1OPRK1OPRD1KCNH2GRIN2D

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 1/4885OPRK1 2/4885OPRD1 3/4885

“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.