SCHEMBL2990445

SCHEMBL2990445

CC1CCC(NCc2ccc(Oc3ccc(C(N)=O)cn3)c3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.43
OPRM1 P35372 11/20 0.43
OPRD1 P41143 6/20 0.43
KCNH2 Q12809 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
ROCK1 Q13464 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
NNMT P40261 2/20 0.39
GAA P10253 1/20 0.37
ADRB3 P13945 2/20 0.36
TACR1 P25103 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 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
SCHEMBL2990244 1.00 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990447 1.00 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2980170 0.91 OPRM1 (0.44) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2988665 0.91 OPRK1 (0.42) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990094 0.91 OPRK1 (0.42) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990096 0.91 OPRK1 (0.42) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL14026727 0.90 OPRK1 (0.44) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2987577 0.90 OPRK1 (0.41) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2992158 0.90 OPRK1 (0.41) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2987575 0.90 OPRK1 (0.41) OPRK1OPRM1OPRD1KCNH2GRIN2D

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 4 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

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 OPRK1 2/4885OPRM1 1/4885OPRD1 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.