SCHEMBL8905252

SCHEMBL8905252

O=C(O)c1ccnc2occc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
KDM4A O75164 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
EGLN1 Q9GZT9 3/20 0.46
HIF1AN Q9NWT6 2/20 0.46
RAB9A P51151 1/20 0.46
PSMD14 O00487 1/20 0.44
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
LMNA P02545 2/20 0.41
KDM4C Q9H3R0 7/20 0.40
KDM6B O15054 4/20 0.40
KDM4D Q6B0I6 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM5C P41229 3/20 0.39

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
SCHEMBL458978 0.74 KDM4E (0.44) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL15129410 0.74 KDM4E (0.48) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL14216744 0.71 CDK5 (0.32) KDM4E
SCHEMBL1088793 0.71 KDM4E (0.67) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL29702872 0.68 NUDT1 (0.60) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL8415023 0.68 KDM4C (0.52) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL1456822 0.68 NUDT1 (0.60) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL8413518 0.68 KDM4C (0.52) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL28512682 0.68 KDM4E (0.57) KDM4EKDM4AL3MBTL1EGLN1HIF1AN
SCHEMBL12143638 0.67 CCR1 (0.48) KDM4EL3MBTL1RAB9APSMD14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846799-B1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
US-9296750-B2 Spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-03-29 US disclosed
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 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 (1 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-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, TACR1 KDM4E 4048/4885KDM4A 4322/4885L3MBTL1 4525/4885

“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.