SCHEMBL2707232

SCHEMBL2707232

CC(C)(C)OC(=O)N1C[C@@H](n2ccc3ccccc32)C[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.39
HTRA1 Q92743 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
UCHL1 P09936 1/20 0.38
HSD11B1 P28845 1/20 0.38
PARP1 P09874 1/20 0.38
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
P2RX3 P56373 1/20 0.36
SPR P35270 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6362184 0.86 FKBP1A (0.40) SRCPARP1
SCHEMBL2709579 0.84 PREP (0.42) MEN1KMT2A
SCHEMBL25176769 0.80 NAMPT (0.44) DRD2SLC6A4SPR
SCHEMBL2708514 0.78 PREP (0.40) DRD2SLC6A4
SCHEMBL4988436 0.77 DRD2 (0.39) HSD11B1NR1H2DRD2SLC6A4SPR
SCHEMBL9230276 0.76 POLB (0.46) SRCHTRA1MEN1KMT2AUCHL1
SCHEMBL3159082 0.75 GPR119 (0.52) DRD2SLC6A4
SCHEMBL205497 0.74 HTRA1 (0.60) HTRA1MEN1KMT2AUCHL1NR1H2
SCHEMBL2239296 0.74 HTRA1 (0.60) HTRA1MEN1KMT2AUCHL1NR1H2
SCHEMBL5201925 0.74 HTRA1 (0.60) HTRA1MEN1KMT2AUCHL1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1950199-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2009-12-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 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 (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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SRC 2754/4885HTRA1 983/4885MEN1 3932/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SRC 2754/4885HTRA1 983/4885MEN1 3932/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 SRC 3213/4885HTRA1 396/4885MEN1 3491/4885

“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.