SCHEMBL2992894

SCHEMBL2992894

C[C@H]1CCN(Cc2cccc3c(Oc4ccc(C(N)=O)cn4)cccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.41
OPRK1 P41145 12/20 0.41
OPRD1 P41143 7/20 0.41
ABCB1 P08183 1/20 0.40
MLNR O43193 1/20 0.40
ACHE P22303 1/20 0.39
KCNH2 Q12809 1/20 0.39
NNMT P40261 2/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL2987744 1.00 OPRM1 (0.41) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2987739 1.00 OPRM1 (0.41) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2984231 0.94 OPRM1 (0.43) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2989435 0.94 OPRM1 (0.43) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2984235 0.94 OPRM1 (0.43) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2990396 0.94 ACHE (0.46) OPRM1OPRK1OPRD1ABCB1ACHE
SCHEMBL2994919 0.92 OPRM1 (0.42) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2990250 0.89 OPRM1 (0.46) OPRM1OPRK1OPRD1ABCB1ACHE
SCHEMBL2987597 0.87 OPRM1 (0.44) OPRM1OPRK1OPRD1ABCB1MLNR
SCHEMBL2996311 0.85 OPRM1 (0.47) OPRM1OPRK1OPRD1ABCB1NNMT

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.