SCHEMBL18729439

SCHEMBL18729439

O=C(O)N1CCC2(CC1)C(=O)CNC2=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CRBN Q96SW2 3/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ IP6K3 Q96PC2 1/20 0.32
▸ IP6K2 Q9UHH9 1/20 0.32
▸ DDB1 Q16531 2/20 0.31
▸ GFER P55789 1/20 0.31
▸ OPRM1 P35372 1/20 0.30

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
SCHEMBL18729441 0.77 USP2 (0.43) KDM4ECRBNDDB1
SCHEMBL31421433 0.72 OTUD7B (0.51) CRBNDDB1
SCHEMBL2635619 0.70 CRBN (0.38) CRBNDDB1
SCHEMBL4072997 0.69 OTUD7B (0.47) CRBNDDB1
SCHEMBL17113601 0.69 NEK2 (0.38) CRBNOPRM1
SCHEMBL31580621 0.68 GAA (0.31) GAAALDH1A1CRBNGFER
SCHEMBL3989054 0.68 CRBN (0.38) CRBNDDB1
SCHEMBL17317182 0.67 LMNA (0.31) —
SCHEMBL2728185 0.67 OTUD7B (0.38) CRBNDDB1
SCHEMBL2315258 0.66 OPRM1 (0.54) IP6K1IP6K3IP6K2OPRM1

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-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 — — US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 — — 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-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 GAA 4095/4885KDM4E 1124/4885ALDH1A1 524/4885

“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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