SCHEMBL1795464

SCHEMBL1795464

COC(=O)c1cc(-c2cnn(C(=O)OC(C)(C)C)c2)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.54
NPC1 O15118 1/20 0.43
CACNA2D1 P54289 7/20 0.36
CACNB1 Q02641 7/20 0.36
CACNA1B Q00975 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CACNA1C Q13936 4/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1A O00555 1/20 0.35
ROCK2 O75116 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
SCD O00767 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CACNA1H O95180 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
SCHEMBL1796355 0.88 SERPINE1 (0.60) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798258 0.85 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798068 0.83 SERPINE1 (0.62) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1797244 0.82 SERPINE1 (0.60) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798072 0.82 SERPINE1 (0.60) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1799486 0.82 SERPINE1 (0.69) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798420 0.82 SERPINE1 (0.63) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1797983 0.82 SERPINE1 (0.63) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1799066 0.82 SERPINE1 (0.57) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1799737 0.81 SERPINE1 (0.61) SERPINE1NPC1CACNA2D1CACNB1CACNA1B

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.