SCHEMBL3497274

SCHEMBL3497274

[CH2]OC(=O)N1CCC(C(=O)OCC)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
ALDH1A1 P00352 6/20 0.60
GAA P10253 2/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
CHRM1 P11229 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL1720494 0.90 MAPT (0.72) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL3497278 0.85 MAPT (0.66) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL18039832 0.84 MAPT (0.57) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL6983298 0.83 MAPT (0.68) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL3499191 0.82 MAPT (0.62) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL6499004 0.82 MAPT (0.62) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL18703938 0.81 MAPT (0.66) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL18914538 0.81 MAPT (0.66) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL900124 0.81 MAPT (0.70) MAPTALDH1A1GAACYP3A4CYP2D6
SCHEMBL27417579 0.81 GAA (0.69) MAPTALDH1A1GAACYP3A4CYP2D6

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 7 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 claimed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US claimed
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 3363/4885ALDH1A1 535/4885GAA 1806/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 MAPT 4188/4885ALDH1A1 366/4885GAA 967/4885

“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.