SCHEMBL16435294

SCHEMBL16435294

CC(=O)/C=C/C(=O)OCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNA4 P43681 1/20 0.50
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 5/20 0.42
DNM1 Q05193 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL3134075 0.92 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL4412330 0.92 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL5540497 0.92 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL5540490 0.84 HCAR2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL8013068 0.84 HCAR2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15499940 0.84 HCAR2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15512163 0.84 HCAR2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3134090 0.84 HCAR2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3134066 0.84 HCAR2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRNB2
Hydrochloric Acid SCHEMBL15512237 0.82 HCAR2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20150038499-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT INC (US) 2015-02-05 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-20150038499-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 CHRM2 4043/4885CHRM4 4444/4885CHRM5 4679/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 CHRM2 4043/4885CHRM4 4444/4885CHRM5 4679/4885
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 CHRM2 4043/4885CHRM4 4444/4885CHRM5 4679/4885

“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.