SCHEMBL4840663

SCHEMBL4840663

O=[C]N1CCCCC1C(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6656408 0.98 HPGD (0.48) HPGDALDH1A1TSHR
SCHEMBL8024244 0.98 HPGD (0.48) HPGDALDH1A1TSHR
SCHEMBL4261203 0.98 HPGD (0.48) HPGDALDH1A1TSHR
SCHEMBL6695180 0.94 HPGD (0.48) HPGDTSHR
SCHEMBL11889660 0.92 HPGD (0.41) HPGD
SCHEMBL7272714 0.88 MAPK1 (0.41) ALDH1A1TSHR
SCHEMBL8485143 0.81 HRH3 (0.46) ALDH1A1
SCHEMBL1661629 0.80 LMNA (0.38) ALDH1A1
SCHEMBL3999542 0.78 GAA (0.33) HPGDALDH1A1
SCHEMBL1303415 0.78 AR (0.33) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP claimed
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO claimed
EP-1228059-A1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM KG (DE) 2002-08-07 EP claimed
WO-2001032648-A1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 WO claimed
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-4766133-A ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1988-08-23 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 (5 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 HPGD 1508/4885ALDH1A1 2408/4885TSHR 1822/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN HPGD 290/4885ALDH1A1 3130/4885TSHR 3561/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HPGD 407/4885ALDH1A1 2261/4885TSHR 3787/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HPGD 407/4885ALDH1A1 2261/4885TSHR 3787/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HPGD 407/4885ALDH1A1 2261/4885TSHR 3787/4885

“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.