SCHEMBL2765801

SCHEMBL2765801

CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](N(C(=O)O)C(=O)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.49
▸ RAMP1 O60894 2/20 0.47
▸ CALCA P06881 1/20 0.40

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
SCHEMBL1197623 0.89 CALCRL (0.46) CALCRLRAMP1CALCA
SCHEMBL1197770 0.82 CALCRL (0.56) CALCRLRAMP1CALCA
SCHEMBL5134420 0.82 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL1198159 0.82 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL14363438 0.80 CALCRL (0.57) CALCRLRAMP1CALCA
SCHEMBL1198426 0.78 CALCRL (0.48) CALCRL
SCHEMBL2901939 0.78 CALCRL (0.39) CALCRLRAMP1CALCA
SCHEMBL3705520 0.77 CALCRL (0.52) CALCRLRAMP1CALCA
SCHEMBL3697359 0.77 CALCRL (0.52) CALCRLRAMP1CALCA
SCHEMBL1196576 0.76 CALCRL (0.47) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 — — EP disclosed
EP-1799672-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-02 — — EP disclosed
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-11-25 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
US-7745427-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 — — US disclosed
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BURGEY CHRISTOPHER S 2010-05-06 — — US disclosed
EP-1796678-B1 CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 — — EP disclosed
EP-2039694-A1 CGRP receptor antagonists Merck & Co., Inc. (US) 2009-03-25 — — EP disclosed
US-7452903-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2008-11-18 — — US disclosed
EP-1638969-B1 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-11-05 — — EP disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 — — US disclosed
US-6953790-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2005-10-11 — — US disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 — — 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 (7 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-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL CALCRL 3/4885RAMP1 129/4885CALCA 19/4885
US-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 CALCRL 5/4885RAMP1 223/4885CALCA 22/4885
US-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL CALCRL 3/4885RAMP1 191/4885CALCA 21/4885
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB1, BDKRB2 CALCRL 6/4885RAMP1 187/4885CALCA 23/4885
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 6/4885RAMP1 38/4885CALCA 10/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 CALCRL 6/4885RAMP1 187/4885CALCA 23/4885
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 CALCRL 4/4885RAMP1 127/4885CALCA 21/4885

“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.

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