SCHEMBL2702160

SCHEMBL2702160

C[C@@H]1CN([C]=O)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL294984 1.00 PDK1 (0.37) PDK1SMN1; SMN2EBPSIGMAR1ALDH1A1
SCHEMBL11826627 0.74 PDK1 (0.41) PDK1SMN1; SMN2EBPSIGMAR1MAPT
SCHEMBL10629612 0.74 PDK1 (0.37) PDK1SMN1; SMN2EBPSIGMAR1ALDH1A1
SCHEMBL1446305 0.72
SCHEMBL11622947 0.70 ALDH1A1 (0.32) ALDH1A1KMT2APOLB
SCHEMBL18784058 0.70 PDK1 (0.39) PDK1SMN1; SMN2EBPSIGMAR1ALDH1A1
SCHEMBL5805370 0.69 SIGMAR1 (0.44) PDK1EBPSIGMAR1ALDH1A1KMT2A
SCHEMBL1333358 0.68 PIK3CD (0.37)
SCHEMBL11147108 0.68
SCHEMBL6827009 0.68 CYP2C9 (0.33) CYP2C19

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-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US claimed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP claimed
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR PDK1 4005/4885SMN1; SMN2 2824/4885EBP 1058/4885

“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.