SCHEMBL2994469

SCHEMBL2994469

NC(=O)c1ccc(Oc2ccc(CN3CCC(F)(F)CC3)c3ccccc23)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.46
OPRK1 P41145 15/20 0.46
OPRD1 P41143 11/20 0.46
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ABCB1 P08183 1/20 0.40
KCNH2 Q12809 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
SCHEMBL2994233 0.94 OPRM1 (0.44) OPRM1OPRK1OPRD1ABCB1
SCHEMBL2993935 0.89 OPRM1 (0.49) OPRM1OPRK1OPRD1ABCB1
SCHEMBL2990236 0.88 OPRM1 (0.48) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL2994282 0.88 OPRM1 (0.44) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL2980620 0.88 OPRM1 (0.48) OPRM1OPRK1OPRD1
SCHEMBL2990579 0.86 OPRM1 (0.49) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL2986485 0.86 OPRM1 (0.47) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL13242173 0.86 HRH3 (0.50) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL2990250 0.85 OPRM1 (0.46) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL2990360 0.84 OPRM1 (0.44) OPRM1OPRK1OPRD1ABCB1KCNH2

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 7 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
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 1/4885OPRK1 2/4885OPRD1 3/4885

“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.