SCHEMBL836635

SCHEMBL836635

CN1C(=O)C(C)(C)c2cccc(Br)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.36
PDE7A Q13946 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SLC6A2 P23975 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6521299 0.80 POLB (0.44) PGRTP53POLBSLC6A2MEN1
SCHEMBL28225949 0.79 PGR (0.36) PGRTP53POLBSLC6A2MAPT
SCHEMBL4805389 0.79 SLC6A2 (0.47) PGRTP53POLBSLC6A2MEN1
SCHEMBL16324464 0.77 PGR (0.34) PGRTP53POLBPDE4APDE4B
SCHEMBL28250861 0.75 PGR (0.46) PGRSLC6A2MAPTMEN1KMT2A
SCHEMBL31383933 0.73 OPRM1 (0.33) PDE7ATP53MAPT
SCHEMBL28947710 0.73 MAPT (0.35) PGRPDE7ATP53SLC6A2MAPT
SCHEMBL28141266 0.73 LMNA (0.42) TP53POLBPDE4APDE4BPDE4C
SCHEMBL31730085 0.73 KDM4E (0.31) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL19629948 0.72 PGR (0.41) PGRPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
EP-1794133-B1 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
EP-2146712-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2010-01-27 EP disclosed
WO-2008130524-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 US disclosed
EP-1794133-A2 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-13 EP disclosed
WO-2006031513-A2 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 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-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR PGR 440/4885PDE7A 1279/4885TP53 4846/4885
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL PGR 785/4885PDE7A 1462/4885TP53 4858/4885

“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.