SCHEMBL1972697

SCHEMBL1972697

CC1(C)CCCCN1C(=O)OCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CNR2 P34972 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
SCHEMBL8618022 0.80 TSHR (0.38) CCNE1CDK2GSK3B
SCHEMBL7435072 0.75 TSHR (0.39) CCNE1CDK2GSK3BCNR2
SCHEMBL29535838 0.75 POLB (0.45)
SCHEMBL6820687 0.74 POLB (0.44)
SCHEMBL1972696 0.73 POLB (0.41)
SCHEMBL26696803 0.72 CNR2 (0.33) CCNE1CDK2GSK3BCNR2
SCHEMBL16009191 0.69 CTSK (0.42)
SCHEMBL4020424 0.68 ALDH1A1 (0.37) CNR2
SCHEMBL30155362 0.68 SIGMAR1 (0.36)
SCHEMBL14930639 0.68 USP2 (0.42) CNR2

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-8404693-B2 Substituted piperidine compounds and methods of their use ADOLOR CORPORATION (US) 2013-03-26 US disclosed
US-20110144108-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-06-16 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-20110144108-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE OPRM1, OPRK1, OPRD1 CCNE1 4739/4885CDK2 2156/4885GSK3B 4208/4885

“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.