SCHEMBL3269294

SCHEMBL3269294

CCN(CC)C(=O)C1CCOC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 8/20 0.43
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PKM P14618 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.35
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 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
SCHEMBL2757945 0.81 POLB (0.43) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL15125182 0.77 POLB (0.50) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL14276813 0.76 POLB (0.56) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL322744 0.74 POLB (0.54) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL3288155 0.74 ALDH1A1 (0.42) POLBALDH1A1LMNAKDM4EMAPT
SCHEMBL15448321 0.73 POLB (0.50) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL4730994 0.73 POLB (0.53) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL19119509 0.73 POLB (0.53) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL3434689 0.72 POLB (0.49) POLBALDH1A1ALOX15LMNAKDM4E
SCHEMBL12086280 0.72 BCHE (0.38) POLBALDH1A1LMNAKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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 (3 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885ALDH1A1 2356/4885ALOX15 1722/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885ALDH1A1 2356/4885ALOX15 1722/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885ALDH1A1 2356/4885ALOX15 1722/4885

“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.