SCHEMBL19225324

SCHEMBL19225324

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
TBXA2R P21731 1/20 0.47
MAPT P10636 2/20 0.45
GALR3 O60755 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 2/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL14087829 0.82 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14087828 0.82 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2022221 0.80 TSHR (0.41) TSHRCYP2C9CYP1A2CYP3A4HIF1A
SCHEMBL2721450 0.80 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL9145394 0.79 TSHR (0.40) TSHR
SCHEMBL15424302 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11763525 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17710616 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16254842 0.77 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11423320 0.77 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R

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-20170224619-A1 CATIONIC LIPID KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-08-10 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-20170224619-A1 CATIONIC LIPID NPC1L1, NPC1, SGMS1 TSHR 1273/4885CHRM2 1788/4885CHRM4 2970/4885

“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.