SCHEMBL242013

SCHEMBL242013

CC(C)(C)OC(=O)N1CCC2(CCC(=O)c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
USP30 Q70CQ3 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
PDK4 Q16654 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
ATM Q13315 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM1A O60341 2/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
AVPR1A P37288 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL12408220 0.90 USP30 (0.47) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL1221984 0.89 HRH3 (0.51) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL29562510 0.89 HRH3 (0.51) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL13203988 0.88 PDK2 (0.46) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL14419734 0.87 PDK2 (0.45) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL2980867 0.86 PDK2 (0.44) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL2980864 0.86 PDK2 (0.44) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL2109651 0.85 RBP4 (0.51) HDAC1HDAC8HDAC6USP30TSHR
SCHEMBL2985024 0.82 HDAC1 (0.46) PDK2HDAC1HDAC8HDAC6USP30
SCHEMBL22792695 0.81 SIGMAR1 (0.61) USP30TSHRALOX15PDK4GPR119

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 42 patents — showing the first 20. 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-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-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-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-20080113958-A1 Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
WO-2008021545-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO disclosed
WO-2008021545-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO 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
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
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
WO-2007100664-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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 (5 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 PDK2 3962/4885HDAC1 1652/4885HDAC8 1819/4885
US-20080113958-A1 Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings HRH2, ACHE, CHRM2 PDK2 3281/4885HDAC1 1551/4885HDAC8 3164/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 PDK2 3962/4885HDAC1 1652/4885HDAC8 1819/4885
US-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 PDK2 3962/4885HDAC1 1652/4885HDAC8 1819/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 PDK2 3962/4885HDAC1 1652/4885HDAC8 1819/4885

“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.