SCHEMBL3577274

SCHEMBL3577274

CCNCCO[Si](CC)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ KDM1A O60341 5/20 0.31
▸ SAT1 P21673 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
SCHEMBL5936772 0.74 — —
SCHEMBL27668897 0.71 HTT (0.35) CYP2C19MEN1GLAKMT2AHTT
SCHEMBL553913 0.70 HTT (0.34) CYP2C19MEN1GLAKMT2AHTT
SCHEMBL412699 0.69 — —
SCHEMBL6236876 0.69 CYP2C19 (0.47) CYP2C19MEN1GLAKMT2AHTT
SCHEMBL3797316 0.67 CYP2C19 (0.45) CYP2C19MEN1GLAKMT2AHTT
SCHEMBL5932913 0.67 CYP2C19 (0.53) CYP2C19MEN1GLAKMT2AHTT
SCHEMBL327870 0.67 — —
SCHEMBL4748879 0.67 — —
SCHEMBL7560960 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 — — US disclosed
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 — — US disclosed
EP-1874315-A2 COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF Mount Cook Biosciences, Inc. (US) 2008-01-09 — — EP disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 — — US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 — — US disclosed
WO-2006113468-A2 COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF MOUNT COOK BIOSCIENCES, INC. (US) 2006-10-26 — — WO 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-20070043028-A1 Compositions of novel opioid compounds and method of use thereof OPRL1, OPRD1, OPRK1 CYP2C19 1620/4885MEN1 4781/4885GLA 4778/4885

“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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