SCHEMBL2410173

SCHEMBL2410173

O=C(O)CC(=O)CC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.36
HSD17B10 Q99714 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31
HPGD P15428 2/20 0.31
GRM5 P41594 1/20 0.31
RIPK1 Q13546 1/20 0.31
NAMPT P43490 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL17255343 0.84 LDHA (0.40) LDHASRRSLC6A1GABRA5GABRB2
SCHEMBL304222 0.82 SLC6A12 (0.45) TNKS2HSD17B10SLC6A1GABRA5GABRB2
SCHEMBL2408251 0.82 TNKS2 (0.35) TNKS2HDAC1HDAC2HPGDRIPK1
SCHEMBL28969694 0.80 KMT2A (0.47) LDHASRRHPGDEPHX1KMT2A
SCHEMBL3972455 0.78 EPHX1 (0.50) HPGDEPHX1KMT2A
SCHEMBL15116787 0.77 TDP1 (0.38) TNKS2HPGDKMT2A
SCHEMBL29878083 0.75 SLC6A1 (0.39) TNKS2SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL2408506 0.74 MGAM (0.45) HPGDKMT2A
SCHEMBL18787738 0.73 USP2 (0.37) TNKS2EPHX1KMT2A
SCHEMBL15971424 0.72 MEN1 (0.33) TNKS2HPGDANPEPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 WO 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A TNKS2 3118/4885HSD17B10 112/4885LDHA 3691/4885

“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.