SCHEMBL3499191

SCHEMBL3499191

CCOC(=O)C1CCN(C(=O)OCCl)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.61
ALDH1A1 P00352 8/20 0.59
HTT P42858 2/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CHRM1 P11229 1/20 0.52
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3346471 0.92 GAA (0.51) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL1720494 0.92 MAPT (0.72) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL3497278 0.83 MAPT (0.66) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL3009771 0.83 MAPT (0.57) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL27417579 0.83 GAA (0.69) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL14810985 0.83 CHRM1 (0.76) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL5605709 0.82 ALDH1A1 (0.66) MAPTALDH1A1HTTKMT2ACYP3A4
SCHEMBL3497274 0.82 MAPT (0.64) MAPTGAAALDH1A1HTTKMT2A
SCHEMBL16809642 0.81 MAPT (0.68) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL1720711 0.81 GAA (0.73) MAPTGAAALDH1A1HTTKMT2A

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
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP 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 (2 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA MAPT 3363/4885GAA 1806/4885ALDH1A1 535/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 MAPT 4188/4885GAA 967/4885ALDH1A1 366/4885

“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.