SCHEMBL2023366

SCHEMBL2023366

CC(C)(C)OC(=O)N1CCN(Cc2cccs2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
HSD17B10 Q99714 1/20 0.72
DRD4 P21917 8/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
DRD3 P35462 6/20 0.48
DRD2 P14416 4/20 0.48
GBA1 P04062 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
DRD5 P21918 2/20 0.45
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL9744195 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10CHRM2CHRM4CHRM1
SCHEMBL5228089 0.85 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10CHRM2CHRM4CHRM1
SCHEMBL17986061 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL16797870 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL4494038 0.81 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL21448725 0.80 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL2023368 0.80 SMN1; SMN2 (0.77) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL16797897 0.79 SMN1; SMN2 (0.61) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL28647531 0.79 ADRA1D (0.51) SMN1; SMN2HSD17B10CHRM2CHRM4CHRM1
SCHEMBL9035867 0.79 KDM4E (0.52) KDM4ELMNAPKMGPR119

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075747-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-06-23 WO disclosed
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
US-7514225-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2009-04-07 US disclosed
US-7514225-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2009-04-07 US disclosed
US-7435737-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTIALS (US) 2008-10-14 US disclosed
US-7435737-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTIALS (US) 2008-10-14 US disclosed
US-7312220-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312221-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312221-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 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 (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-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 SMN1; SMN2 4132/4885HSD17B10 3158/4885DRD4 3857/4885

“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.