SCHEMBL165977

SCHEMBL165977

CCC(NCC(=O)O)NC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
PROC P04070 1/20 0.31

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
SCHEMBL3072264 0.79 NOS3 (0.33)
SCHEMBL21051914 0.70 TGFBR1 (0.42)
Trifluoroacetic Acid SCHEMBL4388550 0.70 KDM4E (0.34)
SCHEMBL17234339 0.69 ITGB3 (0.38)
SCHEMBL17234581 0.69 ITGB3 (0.38)
SCHEMBL17234584 0.69 ITGB3 (0.38)
SCHEMBL28994903 0.69 FAAH (0.54)
SCHEMBL526942 0.69 SLC6A2 (0.32)
SCHEMBL345247 0.68 TGFBR1 (0.41) MMEACE
SCHEMBL17224709 0.68 ITGB3 (0.48)

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 1806 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
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
US-7838496-B2 Template-fixed peptidomimetics as medicaments against HIV and cancer POLYPHOR AG/LTD. (CH) 2010-11-23 US claimed
US-20080233137-A1 Compounds that Block the C5a Receptor and Their Use in Therapy ALLIGATOR BIOSCIENCE AB (SE) 2008-09-25 US claimed
US-7256172-B1 Method of treatment and agents useful for same THE UNIVERSITY OF MELBOURNE (AU) 2007-08-14 US claimed
EP-1586583-A2 Compounds that block C5a complement receptor and their use in therapy Alligator Bioscience AB (publ) (SE) 2005-10-19 EP claimed
US-20260140060-A1 COLORIMETRIC DETECTION OF A VIRAL INFECTION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2026-05-21 US disclosed
US-20260124281-A1 FORMULATIONS COMPRISING ACID-NEUTRALIZING POLYMER FOR ORAL ADMINISTRATION OF PARATHYROID HORMONE ENTERA BIO LTD. (IL) 2026-05-07 US disclosed
WO-1994028014-A2 PEPTIDE INHIBITORS OF UROKINASE RECEPTOR ACTIVITY CHIRON CORPORATION (US) 1994-12-08 WO disclosed
WO-1994011388-A1 SUPPORT FOR THE SYNTHESIS OF MODULAR POLYMERS CHIRON MIMOTOPES PTY. LTD. (AU) 1994-05-26 WO disclosed
WO-1994003483-A1 ENDOTHELIN RECEPTOR-BINDING COMPOUNDS CHIRON CORPORATION (US) 1994-02-17 WO 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A MME 2760/4885ACE 4247/4885CPA1 3400/4885
US-20260124281-A1 FORMULATIONS COMPRISING ACID-NEUTRALIZING POLYMER FOR ORAL ADMINISTRATION OF PARATHYROID HORMONE PTH1R, FGF23, PTMS MME 971/4885ACE 842/4885CPA1 330/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS MME 178/4885ACE 407/4885CPA1 81/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 MME 4066/4885ACE 4809/4885CPA1 3563/4885
US-20260140060-A1 COLORIMETRIC DETECTION OF A VIRAL INFECTION CTSL, CPA4, ACE2 MME 159/4885ACE 11/4885CPA1 17/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS MME 178/4885ACE 407/4885CPA1 81/4885

“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.