SCHEMBL15280573

SCHEMBL15280573

C[C@H]1NC(=O)C(NC(=O)OC(C)(C)C)C[C@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.52
MAOB P27338 2/20 0.52
GAA P10253 1/20 0.45
EPHX2 P34913 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BACE1 P56817 2/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 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
SCHEMBL17735438 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL14771803 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL14771818 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL16253594 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL14771817 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL16253593 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL4567295 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL14771724 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL16253592 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA
SCHEMBL14771793 1.00 KDM1A (0.52) KDM1AMAOBGAAEPHX2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737458-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme LLC (US) 2026-05-06 EP disclosed
WO-2024150250-A1 A PROCESS FOR THE PREPARATION OF ATOGEPANT AND ITS INTERMEDIATES MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-07-18 WO disclosed
WO-2024134683-A1 Novel process for the preparation of intermediate compounds used in the treatment of migraine MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-06-27 WO disclosed
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160130273-A1 Process for Making CGRP Receptor Antagonists MERCK SHARP & DOHME CORP. (US) 2016-05-12 US disclosed
US-20160130273-A1 Process for Making CGRP Receptor Antagonists MERCK SHARP & DOHME CORP. (US) 2016-05-12 US disclosed
US-9174989-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-11-03 US disclosed
US-9174989-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-11-03 US disclosed
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 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 (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-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GPR65 KDM1A 1612/4885MAOB 946/4885GAA 2581/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 KDM1A 1616/4885MAOB 856/4885GAA 4256/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR KDM1A 2137/4885MAOB 185/4885GAA 4109/4885
US-20160130273-A1 Process for Making CGRP Receptor Antagonists CALCR, CALCRL, VIPR1 KDM1A 1293/4885MAOB 857/4885GAA 4310/4885

“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.