SCHEMBL15968437

SCHEMBL15968437

CC(C)(C)C(CCCCN)OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.40
GSR P00390 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
LMNA P02545 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL15968120 0.94 CPB2 (0.37) CPB2GSRRNPEPLMNACHRM2
SCHEMBL5100758 0.86 GABRR1 (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28731369 0.84 CA2 (0.42) LMNAMAPTHSD17B10
SCHEMBL28767432 0.84 CA2 (0.42) LMNAMAPTHSD17B10
SCHEMBL11042718 0.84 CYP4F2 (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29029804 0.83 CA2 (0.47) LMNATSHRHSD17B10NFKB1
SCHEMBL28712321 0.82 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2348467 0.81 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL11039658 0.81 TSHR (0.31) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14877272 0.79 KISS1R (0.41) LMNACHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 CPB2 1549/4885GSR 4557/4885RNPEP 2194/4885

“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.