SCHEMBL2766644

SCHEMBL2766644

O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(C3(C(F)(F)F)CC3)cnc21)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.74
▸ RAMP1 O60894 5/20 0.70

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
SCHEMBL14173374 0.90 CALCRL (0.70) CALCRLRAMP1
SCHEMBL14173372 0.87 CALCRL (0.84) CALCRLRAMP1
SCHEMBL14173356 0.86 CALCRL (0.75) CALCRLRAMP1
SCHEMBL14173354 0.85 CALCRL (0.76) CALCRLRAMP1
SCHEMBL12219718 0.85 CALCRL (1.00) CALCRLRAMP1
SCHEMBL2767234 0.84 CALCRL (0.75) CALCRLRAMP1
SCHEMBL14173359 0.84 CALCRL (0.75) CALCRLRAMP1
SCHEMBL14173355 0.83 CALCRL (0.70) CALCRLRAMP1
SCHEMBL15283928 0.83 CALCRL (0.67) CALCRLRAMP1
SCHEMBL4567284 0.83 CALCRL (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796678-B1 CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 — — EP disclosed
EP-1796678-B1 CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 — — EP 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-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885RAMP1 27/4885

“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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