SCHEMBL2992843

SCHEMBL2992843

CC(C)CCNCc1ccc(Oc2cc(C(N)=O)ccn2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.39
OPRK1 P41145 4/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNH2 Q12809 2/20 0.34
P2RX3 P56373 2/20 0.33
LMNA P02545 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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 0.85 OPRM1 (0.48) SLC2A1OPRK1OPRM1OPRD1KCNH2
SCHEMBL2993998 0.82 CARM1 (0.42) SLC2A1OPRK1OPRM1OPRD1MEN1
SCHEMBL2994992 0.82 SLC6A4 (0.47) SLC2A1OPRK1OPRM1OPRD1MEN1
SCHEMBL2994296 0.82 OPRM1 (0.46) SLC2A1OPRK1OPRM1OPRD1MEN1
SCHEMBL2996008 0.80 OPRM1 (0.47) SLC2A1OPRM1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL2983776 0.80 OPRM1 (0.46) SLC2A1OPRM1MEN1KMT2AATM
SCHEMBL2983904 0.80 OPRM1 (0.46) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2992748 0.77 OPRM1 (0.43) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL2997226 0.75 OPRM1 (0.48) SLC2A1OPRK1OPRM1OPRD1MEN1
SCHEMBL2984348 0.75 OPRM1 (0.47) SLC2A1OPRK1OPRM1OPRD1KCNH2

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 9 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
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO 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 SLC2A1 507/4885OPRK1 2/4885OPRM1 1/4885

“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.