SCHEMBL5626795

SCHEMBL5626795

O=c1cnccn1-c1ccc2c(c1)CCN2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.45
CRBN Q96SW2 4/20 0.45
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
TBXAS1 P24557 3/20 0.45
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAP3K11 Q16584 1/20 0.40
HTR1A P08908 2/20 0.36
AR P10275 1/20 0.36
MKNK2 Q9HBH9 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 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
Tert-Butyl Formate SCHEMBL27656883 0.87 MAP3K11 (0.38) CYP11B2CRBNPDE3BPDE3ATBXAS1
SCHEMBL1997957 0.79 CYP11B2 (0.44) CYP11B2CRBNPDE3BPDE3ATBXAS1
SCHEMBL26683830 0.77 CRBN (0.47) CYP11B2CRBNPDE3BPDE3ATBXAS1
SCHEMBL9088237 0.75 PDE3B (0.66) CYP11B2CRBNPDE3BPDE3ATBXAS1
SCHEMBL8340084 0.72 CYP1A2 (0.46) CYP11B2ARCYP1A2CYP11B1MAPT
SCHEMBL25337945 0.70 CRBN (0.54) CYP11B2CRBNPDE3BPDE3ATBXAS1
SCHEMBL6606774 0.69 CYP11B2 (0.39) CYP11B2DRD2DRD4MAP3K11
SCHEMBL8340917 0.69 NOTUM (0.41) CYP11B2CRBNDRD2HTR1AAR
SCHEMBL31599425 0.69 DRD2 (0.45) CYP11B2CRBNPDE3BPDE3ATBXAS1
SCHEMBL18011097 0.69 ADRB2 (0.54) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 WO disclosed
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 CYP11B2 3430/4885CRBN 3732/4885PDE3B 717/4885

“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.