SCHEMBL2994296

SCHEMBL2994296

CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
SLC2A1 P11166 3/20 0.43
PARP10 Q53GL7 5/20 0.41
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 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
SCHEMBL2994992 0.85 SLC6A4 (0.47) OPRM1OPRD1OPRK1SLC2A1KMT2A
SCHEMBL2993998 0.85 CARM1 (0.42) OPRM1OPRD1OPRK1SLC2A1PARP10
SCHEMBL14027181 0.85 SLC2A1 (0.46) SLC2A1CARM1PRMT6KMT2AMEN1
SCHEMBL2993233 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC2A1KCNH2
SCHEMBL2983797 0.82 OPRM1 (0.43) OPRM1OPRD1OPRK1PARP10KMT2A
SCHEMBL2986987 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1PARP10CARM1
SCHEMBL2992843 0.82 SLC2A1 (0.39) OPRM1OPRD1OPRK1SLC2A1KMT2A
SCHEMBL2987990 0.80 SLC2A1 (0.43) OPRM1SLC2A1KCNH2HTR2ASLC6A4
SCHEMBL2996008 0.79 OPRM1 (0.47) OPRM1SLC2A1KMT2AMEN1ATM
SCHEMBL3704778 0.79 SLC6A4 (0.47) OPRM1OPRD1OPRK1PARP10KMT2A

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 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.