SCHEMBL1198159

SCHEMBL1198159

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

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.50
▸ RAMP1 O60894 2/20 0.48
▸ 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
SCHEMBL5134420 1.00 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL4559699 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL13050655 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL1198319 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL13036911 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL3066255 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
Hydrochloric Acid SCHEMBL3058435 0.86 CALCRL (0.59) CALCRLRAMP1CALCA
Hydrochloric Acid SCHEMBL4663029 0.86 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL1198278 0.85 CALCRL (0.46) CALCRL
SCHEMBL14363438 0.84 CALCRL (0.57) CALCRLRAMP1CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 — — US claimed
EP-1664090-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-06-07 — — EP claimed
US-20050085425-A1 Novel peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2005-04-21 — — US claimed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 — — WO claimed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
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-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
EP-1799672-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-02 — — EP disclosed
US-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 — — US disclosed
US-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 — — US disclosed
EP-1664090-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-06-07 — — EP disclosed
EP-1638969-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-03-29 — — EP disclosed
US-20050256098-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2005-11-17 — — US disclosed
US-6953790-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2005-10-11 — — US disclosed
US-20050085425-A1 Novel peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2005-04-21 — — US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 — — WO disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 — — US disclosed
WO-2004092166-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 — — 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 (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-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL CALCRL 3/4885RAMP1 191/4885CALCA 21/4885
US-20050085425-A1 Novel peptidomimetic NS3-serine protease inhibitors of hepatitis C virus PRSS1, TMPRSS11D, TMPRSS2 CALCRL 1793/4885RAMP1 484/4885CALCA 1292/4885
US-20050256098-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 CALCRL 6/4885RAMP1 187/4885CALCA 23/4885

“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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