SCHEMBL2267264

SCHEMBL2267264

COc1ccc(CN2C(=O)N(C)C3(Cc4ccc(Br)cc4C3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
PARK7 Q99497 1/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
BLM P54132 1/20 0.40
MDH2 P40926 1/20 0.39
APAF1 O14727 1/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PIK3R1 P27986 1/20 0.38

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
SCHEMBL16458381 0.86 CMA1 (0.41) CMA1MAPTTP53PARK7GSK3A
SCHEMBL1920081 0.81 MEN1 (0.47) CMA1MAPTTP53PARK7GSK3A
SCHEMBL16471751 0.78 CMA1 (0.42) CMA1MAPTGSK3AGSK3BMEN1
SCHEMBL17387537 0.76 CMA1 (0.47) CMA1MAPTTP53PARK7GSK3A
SCHEMBL13043453 0.75 CMA1 (0.52) CMA1MAPTGSK3AGSK3BMEN1
SCHEMBL30799996 0.75 ACHE (0.44) MAPTALDH1A1
SCHEMBL16459048 0.75 CMA1 (0.39) CMA1MAPTTP53GSK3AGSK3B
SCHEMBL15546225 0.75 CMA1 (0.39) CMA1MAPTTP53GSK3AGSK3B
SCHEMBL16458615 0.75 CMA1 (0.39) CMA1MAPTTP53GSK3AGSK3B
SCHEMBL23675057 0.75 MAPT (0.51) CMA1MAPTTP53PARK7GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846798-B1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2686324-B1 PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
EP-2686324-B1 PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-9227972-B2 Aliphatic spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-07-23 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
EP-2846801-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
EP-2846798-A2 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
US-20140005214-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-01-02 US disclosed
WO-2013169574-A2 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
WO-2013169563-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-2326176-B1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP disclosed
WO-2012129014-A1 PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-09-27 WO disclosed
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-04 US 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 (4 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-20140005214-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CMA1 791/4885MAPT 2877/4885TP53 4874/4885
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, OPRL1 CMA1 1416/4885MAPT 1869/4885TP53 4783/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CMA1 542/4885MAPT 2191/4885TP53 4775/4885
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS CALCRL, GRPR, CCKBR CMA1 1513/4885MAPT 1908/4885TP53 4882/4885

“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.