SCHEMBL2758262

SCHEMBL2758262

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
KDM1A O60341 4/20 0.45
NAE1 Q13564 1/20 0.44
UBA3 Q8TBC4 1/20 0.44
IDO1 P14902 1/20 0.44
HSD11B2 P80365 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
NAMPT P43490 1/20 0.40
MCHR2 Q969V1 2/20 0.40
EPHX2 P34913 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL12385458 0.89 MCHR2 (0.50) KDM1ANAE1UBA3IDO1HDAC1
SCHEMBL2758276 0.87 KDM1A (0.47) KDM1ANAE1UBA3IDO1HDAC1
SCHEMBL2758261 0.87 KDM1A (0.46) KDM1ANAE1UBA3IDO1HDAC1
SCHEMBL8314152 0.87 NAE1 (0.47) HSD11B1KDM1ANAE1UBA3IDO1
SCHEMBL2758278 0.86 NAE1 (0.44) HSD11B1KDM1ANAE1UBA3IDO1
SCHEMBL2758247 0.86 KDM4E (0.50) HSD11B1KDM1ANAE1UBA3IDO1
SCHEMBL2758260 0.86 NAE1 (0.46) KDM1ANAE1UBA3IDO1HDAC1
SCHEMBL12084830 0.84 KDM1A (0.46) KDM1ANAE1UBA3IDO1HDAC1
SCHEMBL8312069 0.82 NAE1 (0.48) KDM1ANAE1UBA3IDO1HDAC1
SCHEMBL7623319 0.82 KDM1A (0.44) KDM1ANAE1UBA3IDO1HDAC1

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 10 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-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-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-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-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
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 HSD11B1 1412/4885KDM1A 2615/4885NAE1 3445/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HSD11B1 1412/4885KDM1A 2615/4885NAE1 3445/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HSD11B1 1412/4885KDM1A 2615/4885NAE1 3445/4885

“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.