SCHEMBL15344697

SCHEMBL15344697

CCCCOCCC1CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 2/20 0.38
HSD17B10 Q99714 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL15304847 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL14117916 0.82 ATM (0.45) KMT2AALDH1A1ATMNR1H2CHRM2
SCHEMBL13765329 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL19637269 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL7925515 0.78 GPR119 (0.54) GPR119
SCHEMBL13765421 0.78 ABCB1 (0.37) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL18849728 0.77 ATM (0.50) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL3844539 0.76 NR1H2 (0.46) MEN1KMT2AALDH1A1ATMHSD17B10
SCHEMBL12264685 0.76 NR1H2 (0.45) MEN1KMT2AALDH1A1HSD17B10NR1H2
SCHEMBL19616387 0.76 NR1H2 (0.45) MEN1KMT2AALDH1A1HSD17B10NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187419-B2 Intermediates of sitagliptin and preparation process thereof ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2015-11-17 US disclosed
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2013-10-24 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-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF DPP4, DPP9, DPP3 MEN1 2044/4885KMT2A 1823/4885ALDH1A1 2403/4885

“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.