SCHEMBL4830429

SCHEMBL4830429

CC(=O)NC1CNc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.68
MTNR1A P48039 4/20 0.59
MTNR1B P49286 4/20 0.59
MAPK1 P28482 6/20 0.47
HDAC8 Q9BY41 5/20 0.46
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL8568429 1.00 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8568435 1.00 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL429344 0.86 EPHX2 (0.66) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561739 0.85 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8562865 0.85 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561735 0.85 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8562858 0.85 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561743 0.85 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8562856 0.85 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8567663 0.84 EPHX2 (0.64) EPHX2MTNR1AMTNR1BMAPK1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 US disclosed
EP-1485356-A1 NON-PEPTIDE GnRH ANTAGONISTS Ferring BV (NL) 2004-12-15 EP disclosed
WO-2003078398-A1 NON-PEPTIDE GnRH ANTAGONISTS FERRING BV (NL) 2003-09-25 WO disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP 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 (2 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR EPHX2 3083/4885MTNR1A 59/4885MTNR1B 56/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR EPHX2 2925/4885MTNR1A 82/4885MTNR1B 75/4885

“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.