SCHEMBL4940598

SCHEMBL4940598

CC(C)[Si](OCCN1C(=O)CCC[C@@H]1CO)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ SMYD2 Q9NRG4 1/20 0.32
▸ PER2 O15055 1/20 0.32
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL4940595 1.00 PDK2 (0.34) PDK2BRD4SMYD2PER2GRIN2B
SCHEMBL14270966 0.76 POLB (0.37) PDK2BRD4PER2GRIN2B
SCHEMBL4941828 0.71 PTGER4 (0.43) —
SCHEMBL12432872 0.71 ALDH1A1 (0.46) —
SCHEMBL2213020 0.70 GAA (0.47) —
SCHEMBL4375210 0.68 PTGER4 (0.38) PDK2BRD4
SCHEMBL4375203 0.68 PTGER4 (0.38) PDK2BRD4
SCHEMBL1712652 0.68 PDK2 (0.39) PDK2BRD4GRIN2B
SCHEMBL5991525 0.68 POLB (0.38) BRD4GRIN2B
SCHEMBL5766710 0.68 PTGER4 (0.37) PDK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 — — US disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 — — US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 — — US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 — — US disclosed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 — — EP disclosed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 — — WO disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 — — 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-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 PDK2 4696/4885BRD4 4234/4885SMYD2 1403/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 PDK2 2432/4885BRD4 2935/4885SMYD2 3678/4885

“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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