SCHEMBL2115151

SCHEMBL2115151

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
KLK5 Q9Y337 1/20 0.42
FKBP1A P62942 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.40
ACE P12821 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18065823 1.00 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL14045138 0.86 FKBP1A (0.45) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL196944 0.86 FKBP1A (0.45) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL7256996 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL16000757 0.85 DPP4 (0.46) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL6783598 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL7256995 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL196943 0.85 HSD17B10 (0.43) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL6782774 0.84 ACE (0.44) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2
SCHEMBL6782779 0.84 ACE (0.44) HSD17B10KLK5FKBP1ASMN1; SMN2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118927-B2 Substituted piperidin-4-amino-type compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-11-06 US disclosed
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US disclosed
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US disclosed
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US disclosed
WO-2014102590-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 WO disclosed
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 US disclosed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 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 (3 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 HSD17B10 470/4885KLK5 1977/4885FKBP1A 596/4885
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF OPRD1, OPRL1, P2RX4 HSD17B10 4470/4885KLK5 4288/4885FKBP1A 4157/4885
US-10118927-B2 Substituted piperidin-4-amino-type compounds and uses thereof OPRD1, OPRL1, P2RX4 HSD17B10 4470/4885KLK5 4288/4885FKBP1A 4157/4885

“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.