SCHEMBL3592769

SCHEMBL3592769

CC1(C)CC[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CALCRL Q16602 7/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.34
RAMP1 O60894 2/20 0.33
METAP2 P50579 1/20 0.33
APP P05067 2/20 0.33
BACE1 P56817 2/20 0.33
KMT2A Q03164 2/20 0.32
RAMP3 O60896 1/20 0.32
CALCR P30988 1/20 0.32
PER2 O15055 2/20 0.32
CRY2 Q49AN0 2/20 0.32

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
SCHEMBL12901354 1.00 HCAR3 (0.38) HCAR3HCAR2CALCRLPTGDR2RAMP1
Potassium Ion SCHEMBL5670572 0.87 CALCRL (0.34) HCAR3HCAR2CALCRLRAMP1METAP2
Potassium Ion SCHEMBL1273358 0.87 CALCRL (0.34) HCAR3HCAR2CALCRLRAMP1METAP2
SCHEMBL12936529 0.86 CALCRL (0.35) HCAR3HCAR2CALCRLRAMP1METAP2
SCHEMBL12901358 0.86 CALCRL (0.35) HCAR3HCAR2CALCRLRAMP1METAP2
SCHEMBL1273412 0.76 HCAR2 (0.38) HCAR3HCAR2CALCRLMETAP2APP
SCHEMBL981287 0.71 CALCRL (0.38) HCAR3HCAR2CALCRLRAMP1RAMP3
SCHEMBL4347621 0.70 HCAR3 (0.38) HCAR3HCAR2CALCRLKMT2A
SCHEMBL12921066 0.70 CALCRL (0.34) HCAR3HCAR2CALCRLRAMP1RAMP3
SCHEMBL13599284 0.70 CALCRL (0.58) CALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024358-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP 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-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-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
EP-2029575-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-03-04 EP 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-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
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 HCAR3 111/4885HCAR2 109/4885CALCRL 2/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR HCAR3 145/4885HCAR2 91/4885CALCRL 2/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB HCAR3 111/4885HCAR2 109/4885CALCRL 2/4885

“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.