SCHEMBL26324875

SCHEMBL26324875

CC(C)OC(=O)C(C(C)C)N(c1ccccc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
CHRM3 P20309 5/20 0.36
CHRM1 P11229 4/20 0.36
CHRM2 P08172 2/20 0.36
TSHR P16473 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CHRM4 P08173 4/20 0.35
CHRM5 P08912 3/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 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
SCHEMBL26324928 0.94 KDM4E (0.39) TRPM8CHRM3CHRM1CHRM2TSHR
SCHEMBL26324931 0.93 KDM4E (0.41) TRPM8CHRM1CHRM2TSHRSLC6A2
SCHEMBL26324885 0.87 CHRNA1 (0.35) SLC6A2SLC6A4SLC6A3GAACHRNB2
SCHEMBL20564728 0.85 TSHR (0.38) TRPM8CHRM3CHRM1CHRM2TSHR
SCHEMBL26324929 0.83 GPR119 (0.50)
SCHEMBL26324926 0.82 POLB (0.37) TRPM8SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL20565352 0.80 KDM4E (0.40) TRPM8CHRM3CHRM1CHRM2TSHR
SCHEMBL25439978 0.79 MEN1 (0.43) TRPM8CHRM1CHRM2TSHRSLC6A2
SCHEMBL26324800 0.79 TSHR (0.42) TSHRPDCD1CD274GAASMN1; SMN2
SCHEMBL26324873 0.77 TSHR (0.41) TSHRPDCD1CD274SLC6A2SLC6A4

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 TRPM8 4135/4885CHRM3 2015/4885CHRM1 1689/4885

“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.