SCHEMBL331632

SCHEMBL331632

COC(=O)c1nn(CC2CCOCC2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 2/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LRRK2 Q5S007 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
SCHEMBL331277 0.90 CNR2 (0.37) SMN1; SMN2CNR2CNR1ALDH1A1GAA
SCHEMBL332338 0.82 PDE8B (0.41) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL7002157 0.82 ALDH1A1 (0.35) SMN1; SMN2CNR1ALDH1A1MEN1KMT2A
SCHEMBL7002165 0.80 P2RY14 (0.36) SMN1; SMN2CNR1ALDH1A1MEN1KMT2A
SCHEMBL331669 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13008386 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CNR2CNR1ALDH1A1L3MBTL1
SCHEMBL27801963 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL331219 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CNR2CNR1ALDH1A1GAA
SCHEMBL331516 0.75 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL331776 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CNR2CNR1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
EP-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 US disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 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 (2 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-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885CNR2 182/4885CNR1 154/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885CNR2 182/4885CNR1 154/4885

“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.