SCHEMBL40197

SCHEMBL40197

CC(C)(C)N(CCN1CCOCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
PAOX Q6QHF9 1/20 0.37

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
SCHEMBL2956414 0.80 SIGMAR1 (0.40) SMN1; SMN2KMT2AMEN1HSD17B10LMNA
SCHEMBL22581246 0.80 CYP1A2 (0.34) SMN1; SMN2
SCHEMBL30415271 0.78 GLA (0.49) SMN1; SMN2GLAKMT2AMEN1HSD17B10
SCHEMBL15812850 0.78 HRH3 (0.33)
SCHEMBL26579714 0.77 GLA (0.52) SMN1; SMN2GLAKMT2AMEN1HSD17B10
SCHEMBL28413813 0.77 GLA (0.55) SMN1; SMN2GLAKMT2AMEN1HSD17B10
SCHEMBL12536191 0.74 SMN1; SMN2 (0.43) SMN1; SMN2GLAKMT2AMEN1ALDH1A1
SCHEMBL19986235 0.73 SMN1; SMN2 (0.47) SMN1; SMN2GLAKMT2AMEN1HSD17B10
SCHEMBL14025174 0.73 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL12454198 0.73 SMN1; SMN2 (0.42) SMN1; SMN2GLAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-9289429-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 SMN1; SMN2 4871/4885GLA 1412/4885KMT2A 4733/4885

“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.