SCHEMBL20111047

SCHEMBL20111047

COC(O)C1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ IDO1 P14902 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EED O75530 1/20 0.36
▸ RBBP4 Q09028 1/20 0.36
▸ SUZ12 Q15022 1/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ AEBP2 Q6ZN18 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CPN1 P15169 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL13223496 0.80 DPP4 (0.43) DPP4IDO1MEN1KMT2AEED
SCHEMBL2603238 0.78 DPP4 (0.44) DPP4IDO1MEN1KMT2AHRH3
SCHEMBL18702092 0.77 DPP4 (0.43) DPP4IDO1MEN1KMT2AHRH3
SCHEMBL18701928 0.76 DPP4 (0.40) DPP4IDO1MEN1KMT2ADRD2
SCHEMBL23691777 0.75 DPP4 (0.42) DPP4IDO1MEN1KMT2AHRH3
SCHEMBL14217175 0.75 DPP4 (0.42) DPP4IDO1MEN1KMT2AHRH3
SCHEMBL13223498 0.74 ALDH1A1 (0.41) DPP4MEN1KMT2ASMN1; SMN2HRH3
SCHEMBL20110901 0.74 IDO1 (0.40) DPP4IDO1MEN1KMT2AEED
SCHEMBL14176597 0.72 MAPT (0.41) DPP4IDO1MEN1KMT2AMMP13
SCHEMBL18702215 0.72 SPR (0.40) DPP4IDO1MEN1KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233190-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2019-03-19 — — US disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 — — 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 (2 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-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT DPP4 350/4885IDO1 1/4885MEN1 2944/4885
US-10233190-B2 IDO inhibitors IDO1, IDO2, INMT DPP4 350/4885IDO1 1/4885MEN1 2944/4885

“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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