SCHEMBL1799425

SCHEMBL1799425

COC(=O)c1ccc(NC(=O)COCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.67
NPC1 O15118 1/20 0.55
CACNA2D1 P54289 11/20 0.47
CACNA1B Q00975 11/20 0.47
CACNB1 Q02641 11/20 0.47
OPRD1 P41143 2/20 0.46
CACNA1C Q13936 8/20 0.46
CACNA1G O43497 3/20 0.46
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA1H O95180 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43

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
SCHEMBL1797251 0.92 SERPINE1 (0.73) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798810 0.85 SERPINE1 (0.84) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798207 0.84 NPC1 (0.58) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1799721 0.84 SERPINE1 (0.75) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798806 0.82 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1796988 0.82 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798258 0.82 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798984 0.80 SERPINE1 (1.00) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1796970 0.80 SERPINE1 (0.65) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798658 0.80 SERPINE1 (0.62) SERPINE1NPC1CACNA2D1CACNA1BCACNB1

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-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1319/4885CACNA2D1 3723/4885

“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.