SCHEMBL1797251

SCHEMBL1797251

O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.73
NPC1 O15118 1/20 0.58
CACNA2D1 P54289 11/20 0.49
CACNB1 Q02641 11/20 0.49
CACNA1B Q00975 10/20 0.49
CACNA1C Q13936 6/20 0.48
CACNA1G O43497 5/20 0.48
CACNA1H O95180 1/20 0.46
CACNA1A O00555 1/20 0.45
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 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
SCHEMBL1799425 0.92 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798984 0.85 SERPINE1 (1.00) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL29351719 0.84 SERPINE1 (0.98) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1799860 0.84 SERPINE1 (0.98) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1797204 0.83 SERPINE1 (0.63) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1797947 0.83 SERPINE1 (0.86) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1798631 0.82 SERPINE1 (0.84) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL26073743 0.81 SERPINE1 (0.77) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL17530200 0.81 SERPINE1 (0.60) SERPINE1NPC1CACNA2D1CACNB1CACNA1B
SCHEMBL1796138 0.81 SERPINE1 (0.79) 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 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 2092/4885CACNA2D1 4373/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1319/4885CACNA2D1 3723/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1925/4885CACNA2D1 4383/4885

“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.