SCHEMBL2995077

SCHEMBL2995077

CC(C)CCNCc1ccc(Oc2ccc(C#N)cn2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
SLC2A1 P11166 3/20 0.40
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
GABRA5 P31644 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
ACACB O00763 3/20 0.32
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
OPRD1 P41143 1/20 0.31

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
Hydrochloric Acid SCHEMBL2988673 0.99 OPRM1 (0.45) OPRM1SLC2A1ALOX5APFEN1PDCD1
SCHEMBL2986975 0.94 OPRM1 (0.44) OPRM1SLC2A1ALOX5APFEN1PDCD1
SCHEMBL2987990 0.84 SLC2A1 (0.43) OPRM1SLC2A1PDCD1CD274SCN9A
SCHEMBL2982637 0.80 AR (0.48) SLC2A1PDCD1CD274
SCHEMBL3697043 0.80 OPRM1 (0.42) OPRM1ALOX5APFEN1PDCD1CD274
SCHEMBL2993233 0.80 OPRM1 (0.48) OPRM1SLC2A1OPRD1
SCHEMBL4805091 0.76 OPRM1 (0.69) OPRM1ACACBFPR2SCN9AOPRD1
SCHEMBL2995020 0.76 ALOX5AP (0.37) OPRM1ALOX5APFEN1GABRA5
SCHEMBL3692174 0.75 OPRM1 (0.41) OPRM1ALOX5APFEN1EGLN2FPR2
SCHEMBL12852066 0.75 OPRM1 (0.41) OPRM1ALOX5APFEN1HSD11B1HSD11B2

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 6 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
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 1/4885SLC2A1 507/4885ALOX5AP 1990/4885

“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.