SCHEMBL2530330

SCHEMBL2530330

O=C(O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)nnc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.60
▸ KCNH2 Q12809 1/20 0.44
▸ RAMP1 O60894 1/20 0.41
▸ CALCA P06881 1/20 0.41

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
SCHEMBL12219383 0.87 CALCRL (0.56) CALCRLKCNH2RAMP1CALCA
SCHEMBL12219388 0.85 CALCRL (0.54) CALCRLKCNH2RAMP1CALCA
SCHEMBL2527632 0.85 CALCRL (0.54) CALCRLKCNH2RAMP1CALCA
SCHEMBL2530687 0.85 CALCRL (0.54) CALCRLKCNH2RAMP1CALCA
SCHEMBL2528473 0.85 CALCRL (0.54) CALCRLKCNH2RAMP1CALCA
SCHEMBL2530738 0.85 CALCRL (0.54) CALCRLKCNH2RAMP1CALCA
SCHEMBL2530265 0.85 CALCRL (0.54) CALCRLKCNH2RAMP1CALCA
SCHEMBL2526598 0.83 CALCRL (0.61) CALCRLKCNH2
SCHEMBL2527824 0.83 CALCRL (0.52) CALCRLKCNH2RAMP1CALCA
SCHEMBL4700066 0.82 CALCRL (0.46) 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
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-8039460-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine MERCK SHARP & DOHME CORP. (US) 2011-10-18 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
EP-1796678-B1 CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 — — EP disclosed
EP-1802637-B1 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-10-15 — — EP disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 — — 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 (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-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885KCNH2 66/4885RAMP1 27/4885
US-20080113966-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR CALCRL 4/4885KCNH2 332/4885RAMP1 116/4885
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 6/4885KCNH2 346/4885RAMP1 38/4885

“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