SCHEMBL1162229

SCHEMBL1162229

N[C@@H](CCC1CCCCC1)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.51
ALDH1A1 P00352 1/20 0.44
SLC1A3 P43003 3/20 0.40
SLC1A2 P43004 3/20 0.40
SLC1A1 P43005 3/20 0.40
GRIK1 P39086 2/20 0.39
ALOX5 P09917 2/20 0.39
METAP2 P50579 1/20 0.39
DPP4 P27487 1/20 0.37
HPGD P15428 1/20 0.37
GRIK2 Q13002 1/20 0.37
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4A O75164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18939426 1.00 METAP1 (0.51) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL6517422 0.98 METAP1 (0.49) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3994705 0.87 METAP1 (0.44) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL1814190 0.87 METAP1 (0.44) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL1817699 0.87 METAP1 (0.44) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL4001294 0.85 METAP1 (0.41) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3996259 0.85 METAP1 (0.41) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL4000605 0.85 METAP1 (0.41) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3958667 0.84 METAP1 (0.44) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3958289 0.84 METAP1 (0.44) METAP1ALDH1A1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
CN-108602806-B Improved apelin receptor (APJ) agonists and uses thereof 研究三角协会 2022-07-12 CN disclosed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO disclosed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US disclosed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US disclosed
US-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-05-31 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 (6 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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 METAP1 622/4885ALDH1A1 3553/4885SLC1A3 1458/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A METAP1 631/4885ALDH1A1 4268/4885SLC1A3 2430/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP METAP1 875/4885ALDH1A1 3849/4885SLC1A3 978/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS METAP1 486/4885ALDH1A1 4415/4885SLC1A3 686/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 METAP1 1201/4885ALDH1A1 4142/4885SLC1A3 1506/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS METAP1 486/4885ALDH1A1 4415/4885SLC1A3 686/4885

“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.