SCHEMBL4031047

SCHEMBL4031047

Cc1ccccc1N(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LIMK1 P53667 1/20 0.38
SSTR4 P31391 1/20 0.38
HCRTR1 O43613 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 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
SCHEMBL28038835 0.86 TP53 (0.54) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL30443001 0.85 CYP3A4 (0.54) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL12117477 0.85 CYP3A4 (0.54) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL28038889 0.83 TP53 (0.62) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL28039146 0.83 TP53 (0.62) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL28039137 0.83 TP53 (0.62) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL28823423 0.83 TP53 (0.62) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL1644746 0.82 TRPM8 (0.44) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL8709978 0.82 CYP3A4 (0.41) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL1624311 0.80 SMN1; SMN2 (0.51) TP53MEN1KMT2ACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660091-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2009-04-15 EP disclosed
US-7329669-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-12 US disclosed
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-01-18 US disclosed
US-7071200-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-04 US disclosed
EP-1660091-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-05-31 EP disclosed
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-24 US disclosed
WO-2005007164-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 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 (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-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR TRPM8 1451/4885TP53 3410/4885MEN1 578/4885
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR TRPM8 1451/4885TP53 3410/4885MEN1 578/4885

“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.