SCHEMBL2995020

SCHEMBL2995020

CC(C)CCN(CCC(C)C)Cc1cccc2c(Oc3ccc(C#N)cn3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
SLC1A5 Q15758 1/20 0.35
SLC6A4 P31645 1/20 0.34
BCHE P06276 1/20 0.33
OPRM1 P35372 1/20 0.33
GABRA5 P31644 1/20 0.31
PPARD Q03181 1/20 0.31
HPGDS O60760 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
SCHEMBL2991685 0.82 ALOX5AP (0.41) ALOX5APFEN1SLC6A4OPRM1GABRA5
SCHEMBL2986975 0.82 OPRM1 (0.44) ALOX5APFEN1OPRM1
SCHEMBL2996094 0.80 SLC1A5 (0.42) SLC1A5OPRM1
Hydrochloric Acid SCHEMBL2991791 0.79 SLC1A5 (0.41) SLC1A5OPRM1
SCHEMBL2994213 0.79 ALOX5AP (0.41) ALOX5APFEN1SLC6A4OPRM1GABRA5
SCHEMBL14027095 0.78 ALOX5AP (0.41) ALOX5APFEN1SLC6A4OPRM1GABRA5
SCHEMBL2995077 0.76 OPRM1 (0.46) ALOX5APFEN1OPRM1GABRA5
Hydrochloric Acid SCHEMBL2988673 0.75 OPRM1 (0.45) ALOX5APFEN1OPRM1GABRA5
SCHEMBL2984251 0.74 KEAP1 (0.46) ALOX5APFEN1OPRM1GABRA5HPGDS
SCHEMBL2983657 0.73 BCHE (0.47) SLC1A5SLC6A4BCHE

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 2 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 disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US 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 ALOX5AP 1990/4885FEN1 4869/4885SLC1A5 416/4885

“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.