SCHEMBL864544

SCHEMBL864544

CC(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C[C@H](N)C(=O)N4CCC(F)(F)C4)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
GPR119 Q8TDV5 13/20 0.39
DPP4 P27487 5/20 0.37
DPP7 Q9UHL4 4/20 0.37
KCNH2 Q12809 2/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ADRB2 P07550 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL864545 1.00 CHRM2 (0.40) CHRM2GPR119DPP4DPP7KCNH2
SCHEMBL864051 0.92 CHRM2 (0.41) CHRM2GPR119DPP4DPP7KCNH2
SCHEMBL866255 0.89 GPR119 (0.41) GPR119DPP4DPP7KCNH2DPP8
SCHEMBL866256 0.89 GPR119 (0.41) GPR119DPP4DPP7KCNH2DPP8
SCHEMBL10101265 0.88 DPP4 (0.46) CHRM2GPR119DPP4DPP7KCNH2
SCHEMBL866190 0.85 ALDH1A1 (0.38) CHRM2GPR119DPP4
SCHEMBL866191 0.85 ALDH1A1 (0.38) CHRM2GPR119DPP4
SCHEMBL866025 0.82 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL866026 0.82 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL866024 0.82 DPP4 (0.54) DPP4DPP7DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 CHRM2 740/4885GPR119 1/4885DPP4 217/4885

“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.