SCHEMBL3536719

SCHEMBL3536719

O=C(O)C1=CC2(CCN(C3CC4CCC3C4)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
OPRL1 P41146 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
SLC18A3 Q16572 1/20 0.34
SPR P35270 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL12991116 1.00 KDM4E (0.50) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL12991073 0.88 OPRL1 (0.46) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL3533314 0.88 OPRL1 (0.46) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL12991383 0.88 KDM4E (0.43) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL3540520 0.83 OPRL1 (0.40) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL12991280 0.83 OPRL1 (0.40) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL12991349 0.83 KDM4E (0.38) KDM4EKMT2APKMALDH1A1MEN1
SCHEMBL12991324 0.80 KDM4E (0.43) KDM4EALDH1A1SLC18A3
SCHEMBL14318688 0.80 KDM4E (0.43) KDM4EALDH1A1SLC18A3
SCHEMBL12991315 0.79 OPRL1 (0.36) KDM4EKMT2APKMALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
EP-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 WO disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 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-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 3396/4885KMT2A 2362/4885PKM 2294/4885

“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.