SCHEMBL18364745

SCHEMBL18364745

CN(C)C(=O)N(C)CCOC(=O)/C=C/C(=O)OCCN(C)C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 7/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL18364160 0.93 HCAR2 (0.48) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL18364185 0.93 HCAR2 (0.45) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL18364205 0.88 HCAR2 (0.44) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL12570588 0.85 TSHR (0.48) ATMCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL18412209 0.83 ATM (0.48) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL18364236 0.83 ALDH1A1 (0.46) HCAR2CHRM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3134075 0.79 CHRM2 (0.58) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL4412330 0.79 CHRM2 (0.58) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL5540497 0.79 CHRM2 (0.58) ATMHCAR2CHRNB2CHRNA4CHRM2
SCHEMBL18353194 0.78 ATM (0.44) ATMHCAR2CHRNB2CHRNA4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ATM 4406/4885HCAR2 290/4885CHRNB2 2170/4885

“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.