SCHEMBL725764

SCHEMBL725764

CN(C)C(=O)C1CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
MAPK1 P28482 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLI1 P08151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.34
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL11528758 0.94 MCL1 (0.42) MCL1MAPK1CA1CA2CA4
SCHEMBL17438623 0.92 MCL1 (0.41) MCL1MAPK1CA1CA2CA4
SCHEMBL14721218 0.80 GLI1 (0.35) MCL1MAPK1CA1CA2CA4
SCHEMBL12296371 0.79 MCL1 (0.45) MCL1MAPK1CA1CA2CA4
SCHEMBL63339 0.77 MCL1 (0.53) MCL1MAPK1CA1CA2CA4
SCHEMBL20292355 0.77 MCL1 (0.40) MCL1MAPK1KMT2AGAAALDH1A1
SCHEMBL1662468 0.76 MAPK1 (0.43) MCL1MAPK1CA1CA2CA4
SCHEMBL4378409 0.76 CTSB (0.34) MCL1MAPK1KMT2AALDH1A1GLI1
SCHEMBL15364870 0.75 MCL1 (0.52) MCL1MAPK1CA1CA2CA4
SCHEMBL6914585 0.75 MCL1 (0.52) MCL1MAPK1CA1CA2CA4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978427-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR INT AG (CH) 2018-08-08 EP disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 EP disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 EP disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
WO-2011117225-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2011-09-29 WO disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
US-4179557-A Acylation of 7-aminocephalosporanic acids PRESIDENT OF OSAKA UNIVERSITY (JP) 1979-12-18 US disclosed
US-4123611-A N-protected amino compounds PRESIDENT OF OSAKA UNIVERSITY (JP) 1978-10-31 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 MCL1 466/4885MAPK1 3224/4885CA1 3510/4885
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD MCL1 612/4885MAPK1 1158/4885CA1 3372/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 MCL1 3047/4885MAPK1 4640/4885CA1 2033/4885

“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.