SCHEMBL2996008

SCHEMBL2996008

CC(C)CCNCc1ccc(Oc2cccc(C(N)=O)n2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
SLC2A1 P11166 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SCN9A Q15858 4/20 0.38
P2RX3 P56373 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMPD1 P17405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
DPP7 Q9UHL4 1/20 0.34

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 SCHEMBL2983776 0.99 OPRM1 (0.46) OPRM1SLC2A1MEN1KMT2AATM
SCHEMBL2993233 0.81 OPRM1 (0.48) OPRM1SLC2A1
SCHEMBL2992843 0.80 SLC2A1 (0.39) OPRM1SLC2A1MEN1KMT2AATM
SCHEMBL2994296 0.79 OPRM1 (0.46) OPRM1SLC2A1MEN1KMT2AATM
SCHEMBL2983904 0.77 OPRM1 (0.46) OPRM1
SCHEMBL2994992 0.76 SLC6A4 (0.47) OPRM1SLC2A1MEN1KMT2AATM
SCHEMBL2993998 0.76 CARM1 (0.42) OPRM1SLC2A1MEN1KMT2AATM
SCHEMBL14027181 0.73 SLC2A1 (0.46) SLC2A1MEN1KMT2AATML3MBTL1
SCHEMBL2995077 0.71 OPRM1 (0.46) OPRM1SLC2A1MEN1KMT2AATM
SCHEMBL2997226 0.71 OPRM1 (0.48) OPRM1SLC2A1MEN1KMT2AATM

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 5 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-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 507/4885MEN1 4566/4885

“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.