SCHEMBL9964726

SCHEMBL9964726

CN1C(=O)COc2c1ccc1c2C[C@H]2[C@H](C(N)=O)OC(=O)N12

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
HRH1 P35367 1/20 0.30
HTR3A P46098 1/20 0.30
PDE4D Q08499 1/20 0.30
KCNH2 Q12809 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL14069192 1.00 CYP11B1 (0.31) CYP11B1CYP11B2PDE3BPDE3AHTR2A
SCHEMBL14069193 0.82 MAOA (0.32)
SCHEMBL9964714 0.82 MAOA (0.32)
SCHEMBL9964724 0.82 CYP11B1 (0.31) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL14069449 0.81 CYP11B1 (0.32) CYP11B1CYP11B2PDE3BPDE3ASLC6A4
SCHEMBL9964722 0.78
SCHEMBL14069523 0.78 PDE3B (0.32) CYP11B1CYP11B2PDE3BPDE3AHTR2A
SCHEMBL9964727 0.72 MAOA (0.35) CYP11B1CYP11B2PDE3BPDE3ASLC6A4
SCHEMBL9968810 0.70 MAOA (0.32) KCNH2
SCHEMBL14069522 0.69 MAOA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 CYP11B1 458/4885CYP11B2 429/4885PDE3B 738/4885

“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.