SCHEMBL179044

SCHEMBL179044

CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(Br)cn2)C[C@@H]1N1CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.38
▸ ACACB O00763 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PDE10A Q9Y233 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
SCHEMBL1721356 0.89 DPP4 (0.35) ACACBMAP4K4DPP4DPP8VNN1
SCHEMBL147266 0.89 DPP4 (0.35) ACACBMAP4K4DPP4DPP8VNN1
SCHEMBL147265 0.89 DPP4 (0.35) ACACBMAP4K4DPP4DPP8VNN1
SCHEMBL29749147 0.80 RET (0.53) RETACACBMAP4K4CKS1BSKP1
SCHEMBL8217907 0.79 DPP4 (0.43) MAP4K4DPP4DPP8VNN1CKS1B
SCHEMBL31370459 0.78 PDE10A (0.50) RETACACBMAP4K4CKS1BSKP1
SCHEMBL8221580 0.78 DPP4 (0.43) RETMAP4K4DPP4DPP8VNN1
SCHEMBL29891163 0.77 RET (0.45) RETMAP4K4CKS1BSKP1SKP2
SCHEMBL21564574 0.77 RET (0.45) RETMAP4K4CKS1BSKP1SKP2
SCHEMBL21564571 0.77 RET (0.45) RETMAP4K4CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 — — 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 RET 1441/4885ACACB 239/4885DDB1 4075/4885

“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.

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