SCHEMBL2767146

SCHEMBL2767146

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 14/20 0.44
▸ RAMP1 O60894 1/20 0.41
▸ AADAT Q8N5Z0 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL13930173 0.84 CALCRL (0.42) CALCRLRAMP1BRD4ACHE
SCHEMBL1198278 0.83 CALCRL (0.46) CALCRL
SCHEMBL13798878 0.82 CALCRL (0.47) CALCRLHTR2CHTR2B
SCHEMBL13929777 0.81 CALCRL (0.48) CALCRL
SCHEMBL1198384 0.81 CALCRL (0.49) CALCRL
SCHEMBL1198467 0.81 CALCRL (0.49) CALCRL
SCHEMBL5815838 0.81 CALCRL (0.49) CALCRL
SCHEMBL1198427 0.80 CALCRL (0.41) CALCRL
SCHEMBL1197405 0.80 CALCRL (0.50) CALCRL
SCHEMBL6027022 0.80 CALCRL (0.41) 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 28 patents — showing the first 20. 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
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-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-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BURGEY CHRISTOPHER S 2010-05-06 — — US disclosed
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BURGEY CHRISTOPHER S 2010-05-06 — — US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 — — US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 — — US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 — — US disclosed
EP-1799672-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-27 — — EP disclosed
WO-2006041830-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-20 — — 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-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL CALCRL 3/4885RAMP1 129/4885AADAT 1650/4885
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885RAMP1 27/4885AADAT 3078/4885
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 6/4885RAMP1 38/4885AADAT 1836/4885
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 CALCRL 4/4885RAMP1 127/4885AADAT 1541/4885

“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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