SCHEMBL287925

SCHEMBL287925

O=C(O)CNCc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.54
CAMK2A Q9UQM7 1/20 0.54
CA1 P00915 4/20 0.49
HIF1A Q16665 1/20 0.45
CYP1A1 P04798 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 1/20 0.42

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
SCHEMBL3187395 0.84 S1PR1 (0.50) CA2CAMK2ACA1HIF1ACYP1A1
SCHEMBL156664 0.83 MEN1 (0.56) ALDH1A1
SCHEMBL1202552 0.82 HTT (0.61) ALDH1A1
SCHEMBL5939339 0.82 FFAR1 (0.56) ALDH1A1
SCHEMBL18459808 0.82 KDM4E (0.52) CA2CA1HIF1AALDH1A1
SCHEMBL23105604 0.82 LMNA (0.52) CA2CA1ALDH1A1
SCHEMBL8991901 0.82 ALDH1A1 (0.65) ALDH1A1
SCHEMBL841278 0.82 L3MBTL1 (0.50) CA2CA1
SCHEMBL11273783 0.82 CA2 (0.55) CA2CAMK2ACA1HIF1A
SCHEMBL18487413 0.82 FOLH1 (0.49) CA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328877-B1 PEPTOID THE UNIV OF DURHAM (GB) 2022-08-24 EP claimed
US-20180201647-A1 Peptoid THE UNIVERSITY OF DURHAM (GB) 2018-07-19 US claimed
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
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
EP-2477643-A1 LONG-ACTING Y2 RECEPTOR AGONISTS Novo Nordisk A/S (DK) 2012-07-25 EP claimed
WO-2011058165-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2011-05-19 WO claimed
WO-2011033068-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2011-03-24 WO claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-20080233137-A1 Compounds that Block the C5a Receptor and Their Use in Therapy ALLIGATOR BIOSCIENCE AB (SE) 2008-09-25 US claimed
EP-1737886-A2 COMPOUNDS THAT BLOCK THE C5A RECEPTOR AND THEIR USE IN THERAPY Alligator Bioscience AB (publ) (SE) 2007-01-03 EP claimed
WO-2005100385-A2 COMPOUNDS THAT BLOCK THE C5A RECEPTOR AND THEIR USE IN THERAPY ALLIGATOR BIOSCIENCE AB (PUBL) (SE) 2005-10-27 WO 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
WO-2003006048-A1 COMBINATION OF CHIPS (CHEMOTAXIS INHIBITING PROTEIN FROM STAPHYLOCOCCUS AUREUS)-BASED COMPOUNDS JARI PHARMACEUTICALS B.V. (NL) 2003-01-23 WO claimed

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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A CA2 3971/4885CAMK2A 3530/4885CA1 4709/4885
US-20180201647-A1 Peptoid ARG1, ARGLU1, QPCT CA2 2443/4885CAMK2A 3646/4885CA1 3709/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS CA2 1290/4885CAMK2A 1167/4885CA1 1457/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS CA2 1290/4885CAMK2A 1167/4885CA1 1457/4885

“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.