SCHEMBL16428397

SCHEMBL16428397

CCCOC(=O)C(C)(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
CHRM3 P20309 6/20 0.50
CHRM4 P08173 4/20 0.50
LMNA P02545 3/20 0.50
CHRM5 P08912 1/20 0.50
ALDH1A1 P00352 1/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL27752471 0.86 PIN1 (0.51) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1455978 0.86 PIN1 (0.51) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL27731921 0.86 PIN1 (0.51) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28776443 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL16428395 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL28842039 0.85 LMNA (0.51) CHRM2CHRM1CHRM3CHRM4LMNA
Hydrochloric Acid SCHEMBL6376017 0.85 PIN1 (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL10623735 0.83 LMNA (0.53) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL16732185 0.83 LMNA (0.53) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL28546062 0.83 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5

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
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
EP-3027767-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XenoPort, Inc. (US) 2016-06-08 EP 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
WO-2015017762-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2015-02-05 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 (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 4043/4885CHRM1 3858/4885CHRM3 4261/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 CHRM2 4043/4885CHRM1 3858/4885CHRM3 4261/4885
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 CHRM2 4043/4885CHRM1 3858/4885CHRM3 4261/4885

“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.