SCHEMBL4028020

SCHEMBL4028020

CS(=O)(=O)OCC1c2ccccc2CCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARP1 P09874 1/20 0.47
MTNR1B P49286 1/20 0.45
GHSR Q92847 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4032811 0.84 NPC1 (0.54) NPC1RAB9AL3MBTL1PARP1MTNR1B
SCHEMBL4028527 0.84 NPC1 (0.54) NPC1RAB9AL3MBTL1PARP1MTNR1B
SCHEMBL14646661 0.80 NPC1 (0.55) NPC1RAB9AL3MBTL1PARP1TMEM97
SCHEMBL31211830 0.79 F2 (0.50) NPC1RAB9AF2ELANECTSG
SCHEMBL1052868 0.78 ACE (0.58) NPC1RAB9AL3MBTL1PARP1GHSR
SCHEMBL6126724 0.78 ACE (0.58) NPC1RAB9AL3MBTL1PARP1GHSR
SCHEMBL1873488 0.77 PREP (0.52) RAB9AL3MBTL1
SCHEMBL6597133 0.77 PREP (0.52) RAB9AL3MBTL1
SCHEMBL7939228 0.77 PREP (0.52) RAB9AL3MBTL1
SCHEMBL1566255 0.77 CHRM3 (0.57) NPC1RAB9AL3MBTL1PARP1

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 6 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-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 NPC1 1762/4885RAB9A 1029/4885L3MBTL1 2719/4885
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR NPC1 1762/4885RAB9A 1029/4885L3MBTL1 2719/4885

“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.