SCHEMBL1799486

SCHEMBL1799486

Cn1cc(-c2ccc(NC(=O)COCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C(=O)O)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.69
NPC1 O15118 1/20 0.50
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA2D1 P54289 7/20 0.39
CACNA1B Q00975 7/20 0.39
CACNB1 Q02641 7/20 0.39
CACNA1C Q13936 5/20 0.39
CACNA1H O95180 1/20 0.39
NPY2R P49146 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
EP300 Q09472 1/20 0.39
LDHA P00338 1/20 0.39

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 0.94 SERPINE1 (0.60) SERPINE1NPC1LRRK2ALDH1A1CACNA2D1
SCHEMBL1798777 0.89 SERPINE1 (0.79) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL17530231 0.88 SERPINE1 (0.78) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1798523 0.86 SERPINE1 (0.73) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1798252 0.86 SERPINE1 (0.70) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1819173 0.86 SERPINE1 (0.70) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1799507 0.86 SERPINE1 (0.72) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1795910 0.86 SERPINE1 (0.72) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1798067 0.85 SERPINE1 (0.74) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B
SCHEMBL1799654 0.85 SERPINE1 (0.69) SERPINE1NPC1ALDH1A1CACNA2D1CACNA1B

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 7 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 claimed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 US claimed
US-10092537-B2 Use for PAI-1 inhibitor RENASCIENCE CO., LTD. (JP) 2018-10-09 US disclosed
US-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2016-06-09 US disclosed
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
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 (3 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-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 2092/4885LRRK2 4318/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1319/4885LRRK2 2287/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1925/4885LRRK2 4380/4885

“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.