SCHEMBL2992004

SCHEMBL2992004

CN(CCC1CCOCC1)Cc1ccc(Oc2ccc(C(N)=O)cn2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
OPRM1 P35372 8/20 0.36
OPRK1 P41145 7/20 0.36
OPRD1 P41143 3/20 0.36
CNR1 P21554 1/20 0.36
NNMT P40261 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2994920 0.91 BCHE (0.47) BCHEACHEOPRM1OPRK1OPRD1
SCHEMBL2988184 0.83 OPRK1 (0.44) OPRM1OPRK1OPRD1
SCHEMBL2988787 0.81 OPRK1 (0.45) OPRM1OPRK1OPRD1CNR1
SCHEMBL2994340 0.79 ALDH1A1 (0.40) ALDH1A1BCHEACHEOPRM1OPRK1
SCHEMBL2987566 0.79 OPRK1 (0.43) OPRM1OPRK1OPRD1NNMT
SCHEMBL2986995 0.78 OPRM1 (0.42) OPRM1OPRK1OPRD1
SCHEMBL14026652 0.76 NNMT (0.50) OPRM1OPRK1OPRD1NNMT
SCHEMBL2980646 0.76 OPRK1 (0.47) OPRM1OPRK1OPRD1NNMT
SCHEMBL6223567 0.75 ABCB1 (0.41) OPRM1OPRK1OPRD1
SCHEMBL2991647 0.75 NNMT (0.40) OPRM1OPRK1OPRD1NNMT

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 ALDH1A1 891/4885BCHE 1495/4885ACHE 2295/4885

“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.