SCHEMBL3587941

SCHEMBL3587941

O=C(O)CN1C(=O)C2(CCCC2)NC[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 4/20 0.46
KMT2A Q03164 3/20 0.43
RAMP1 O60894 3/20 0.41
CALCA P06881 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3597448 1.00 CALCRL (0.46) CALCRLKMT2ARAMP1CALCAMEN1
Hydrochloric Acid SCHEMBL2188919 0.99 CALCRL (0.45) CALCRLKMT2ARAMP1CALCAMEN1
Hydrochloric Acid SCHEMBL1274231 0.99 CALCRL (0.45) CALCRLKMT2ARAMP1CALCAMEN1
SCHEMBL1273894 0.87 KMT2A (0.41) CALCRLKMT2AMEN1ALDH1A1LMNA
SCHEMBL3590594 0.84 CALCRL (0.54) CALCRLKMT2ARAMP1CALCAMEN1
SCHEMBL3592002 0.84 CALCRL (0.54) CALCRLKMT2ARAMP1CALCAMEN1
SCHEMBL3590576 0.84 CALCRL (0.54) CALCRLKMT2ARAMP1CALCAMEN1
SCHEMBL1272342 0.83 CALCRL (0.54) CALCRLKMT2ARAMP1CALCAMEN1
SCHEMBL5669396 0.83 CALCRL (0.54) CALCRLKMT2ARAMP1CALCAMEN1
SCHEMBL1274595 0.81 CALCRL (0.46) CALCRLKMT2ARAMP1CALCAMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
EP-2024358-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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 (3 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-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB CALCRL 2/4885KMT2A 2761/4885RAMP1 70/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CALCRL 2/4885KMT2A 2510/4885RAMP1 75/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CALCRL 2/4885KMT2A 2761/4885RAMP1 70/4885

“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.