SCHEMBL2990236

SCHEMBL2990236

NC(=O)c1ccc(Oc2ccc(CN3CCCCC3)c3ccccc23)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.48
OPRD1 P41143 14/20 0.48
OPRK1 P41145 13/20 0.48
ABCB1 P08183 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2993935 0.99 OPRM1 (0.49) OPRM1OPRD1OPRK1ABCB1
SCHEMBL2995812 0.94 OPRM1 (0.46) OPRM1OPRD1OPRK1ABCB1
SCHEMBL2996311 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1ABCB1
SCHEMBL2986485 0.90 OPRM1 (0.47) OPRM1OPRD1OPRK1ABCB1KDM4E
SCHEMBL2990579 0.90 OPRM1 (0.49) OPRM1OPRD1OPRK1ABCB1KDM4E
SCHEMBL2994469 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1ABCB1KDM4E
SCHEMBL2990250 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1ABCB1KDM4E
SCHEMBL2995382 0.88 OPRM1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL2995019 0.88 OPRM1 (0.57) OPRM1OPRD1OPRK1ABCB1
SCHEMBL2988229 0.87 OPRM1 (0.45) OPRM1OPRD1OPRK1ABCB1GAA

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.