SCHEMBL4028527

SCHEMBL4028527

O=C(OCc1ccccc1)N1CCc2ccccc2C1CO

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PARP1 P09874 1/20 0.52
MTNR1B P49286 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOTUM Q6P988 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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 1.00 NPC1 (0.54) NPC1RAB9AL3MBTL1PARP1MTNR1B
SCHEMBL4028020 0.84 NPC1 (0.48) NPC1RAB9AL3MBTL1PARP1MTNR1B
SCHEMBL14646661 0.84 NPC1 (0.55) NPC1RAB9AL3MBTL1PARP1SMN1; SMN2
SCHEMBL1052868 0.84 ACE (0.58) NPC1RAB9AL3MBTL1PARP1SMN1; SMN2
SCHEMBL6126724 0.84 ACE (0.58) NPC1RAB9AL3MBTL1PARP1SMN1; SMN2
SCHEMBL1566253 0.82 CHRM3 (0.57) NPC1RAB9AL3MBTL1PARP1
SCHEMBL1566255 0.82 CHRM3 (0.57) NPC1RAB9AL3MBTL1PARP1
SCHEMBL22032272 0.81 MTNR1B (0.56) L3MBTL1MTNR1BSMN1; SMN2MEN1KMT2A
SCHEMBL7214029 0.80 MTNR1B (0.50) L3MBTL1MTNR1BPSEN1PSEN2APH1B
SCHEMBL18066403 0.79 MEN1 (0.50) MTNR1BMEN1KMT2A

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.