SCHEMBL13376844

SCHEMBL13376844

O=C(N[C@@H]1COc2ccccc2N(CC(F)(F)F)C1=O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.58
▸ RAMP1 O60894 13/20 0.58

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
SCHEMBL14371444 0.82 RIPK1 (0.43) —
SCHEMBL14173339 0.80 RIPK1 (0.41) —
SCHEMBL12152938 0.79 RIPK1 (0.42) —
SCHEMBL13376820 0.79 CALCRL (0.67) CALCRLRAMP1
SCHEMBL14371410 0.79 RIPK1 (0.42) CALCRLRAMP1
SCHEMBL12152917 0.79 RIPK1 (0.41) —
SCHEMBL7030758 0.77 CALCRL (0.85) CALCRLRAMP1
SCHEMBL21350996 0.74 CALCRL (1.00) CALCRLRAMP1
SCHEMBL4570719 0.74 CALCRL (1.00) CALCRLRAMP1
SCHEMBL16421405 0.74 CALCRL (0.78) 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 5 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
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

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.

Send feedback