SCHEMBL1739282

SCHEMBL1739282

O=C(O)N1CC[C@H](Oc2ncccn2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.52
HMOX1 P09601 1/20 0.52
CYP2C9 P11712 2/20 0.46
CYP2J2 P51589 2/20 0.46
CYP2C19 P33261 2/20 0.46
RIPK1 Q13546 1/20 0.41
RBP4 P02753 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4E B2RXH2 1/20 0.37
SPR P35270 1/20 0.37
NOS2 P35228 1/20 0.36
NAMPT P43490 1/20 0.36
GRIN2B Q13224 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
SCHEMBL4106966 0.91 EPHX2 (0.44) EPHX2HMOX1CYP2C9CYP2J2CYP2C19
SCHEMBL5155703 0.90 EPHX2 (0.57) EPHX2HMOX1CYP2C9CYP2J2CYP2C19
SCHEMBL1740304 0.87 EPHX2 (0.44) EPHX2HMOX1CYP2C9CYP2J2CYP2C19
SCHEMBL6123596 0.86 EPHX2 (0.48) EPHX2HMOX1CYP2C9CYP2J2CYP2C19
SCHEMBL595897 0.84 HMOX1 (0.52) EPHX2HMOX1CYP2C9CYP2J2CYP2C19
SCHEMBL595896 0.84 HMOX1 (0.52) EPHX2HMOX1CYP2C9CYP2J2CYP2C19
SCHEMBL30729521 0.82 KDM5A (0.58) EPHX2HMOX1RIPK1RBP4KDM5A
SCHEMBL23580500 0.80 SPR (0.42) HMOX1SPR
SCHEMBL7900769 0.80 PIK3CD (0.56)
SCHEMBL23580503 0.80 SPR (0.42) HMOX1SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A EPHX2 1174/4885HMOX1 4235/4885CYP2C9 88/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A EPHX2 1174/4885HMOX1 4235/4885CYP2C9 88/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A EPHX2 1174/4885HMOX1 4235/4885CYP2C9 88/4885

“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.