SCHEMBL1740554

SCHEMBL1740554

O=C(O)N1CC(c2cnccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
EPHX2 P34913 1/20 0.46
SCD5 Q86SK9 2/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NAPRT Q6XQN6 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GRM1 Q13255 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
USP30 Q70CQ3 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
MAP4K4 O95819 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL30711201 0.83 EPHX2 (0.49) CYP2C9EPHX2SCD5NAMPTKDM4E
SCHEMBL7898459 0.77 GPR119 (0.54) KDM4EFAAHMGLLUSP30PDE10A
SCHEMBL14413688 0.76 CYP2C9 (0.52) CYP2C9EPHX2SCD5NAMPTPRMT5
SCHEMBL1740411 0.76 HSD11B1 (0.49) SCD5NAMPTNAPRTGRM1PRMT5
SCHEMBL31228434 0.76 HSD11B1 (0.49) SCD5NAMPTNAPRTGRM1PRMT5
SCHEMBL25298231 0.75 USP30 (0.30) USP30
SCHEMBL1739264 0.75 KDM5A (0.46) SCD5GRM1MAP4K4PDE10ASCD
SCHEMBL12049777 0.74 PDE9A (0.37) CYP2C9EPHX2MAP4K4
SCHEMBL1739261 0.72 EPHX2 (0.47) CYP2C9EPHX2KDM4ENAPRTHCAR2
SCHEMBL19658657 0.72 CYP2C9 (0.46) CYP2C9EPHX2NAMPTKDM4EPDE10A

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
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 (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-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A CYP2C9 88/4885EPHX2 1174/4885SCD5 4656/4885

“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.