SCHEMBL4840666

SCHEMBL4840666

O=C(C(=O)N1CCCC1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HPGD P15428 3/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
CA2 P00918 2/20 0.48
CHKA P35790 1/20 0.48
ATM Q13315 1/20 0.46
F2 P00734 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
PIN1 Q13526 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
SCHEMBL9717393 1.00 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL4261207 1.00 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8024247 1.00 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8288869 0.96 ALDH1A1 (0.56) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL11889662 0.93 ALDH1A1 (0.58) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL1661632 0.87 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL4172003 0.84 ALDH1A1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8674256 0.84 MEN1 (0.60) ALDH1A1HPGDMMP1MMP3CA12
SCHEMBL52491 0.83 ALDH1A1 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL15125123 0.82 ALDH1A1 (0.50) ALDH1A1HPGDMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US 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 (4 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 ALDH1A1 2408/4885HPGD 1508/4885MMP1 195/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R ALDH1A1 4267/4885HPGD 3187/4885MMP1 4734/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885HPGD 407/4885MMP1 281/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885HPGD 407/4885MMP1 281/4885

“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.