SCHEMBL420341

SCHEMBL420341

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.50
GSR P00390 1/20 0.42
TRPA1 O75762 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
TSHR P16473 2/20 0.37
CPB2 Q96IY4 3/20 0.37
PAOX Q6QHF9 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 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
SCHEMBL420644 0.94 TRPV1 (0.47) TRPV1GSRTRPA1TSHRCPB2
SCHEMBL420402 0.84 TRPV1 (0.45) TRPV1GSRRNPEPCPB2PAOX
SCHEMBL14396088 0.84 TRPV1 (0.53) TRPV1
Hydrochloric Acid SCHEMBL5274948 0.82 TRPV1 (0.51) TRPV1
SCHEMBL5382765 0.79 GSR (0.47) TRPV1GSRRNPEPTSHRCPB2
SCHEMBL14089654 0.79 GSR (0.47) TRPV1GSRRNPEPTSHRCPB2
SCHEMBL419550 0.78 TRPV1 (0.42) TRPV1GSRTSHRCPB2PAOX
SCHEMBL421702 0.77 TRPV1 (0.41) TRPV1TSHRTDP1CHRM2CHRM4
SCHEMBL965977 0.77 GSR (0.45) TRPV1GSRTRPA1RNPEPCPB2
SCHEMBL28819084 0.77 GSR (0.45) TRPV1GSRTRPA1RNPEPCPB2

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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 TRPV1 1161/4885GSR 2897/4885TRPA1 1415/4885

“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.