SCHEMBL13599180

SCHEMBL13599180

O=C(CN1C(=O)C2(CCCCC2)NC[C@@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.99

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.99
RAMP1 O60894 7/20 0.99
CALCA P06881 1/20 0.99
RAMP3 O60896 1/20 0.59
CALCR P30988 1/20 0.59

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
SCHEMBL13599405 1.00 CALCRL (0.99) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL13599208 1.00 CALCRL (0.99) CALCRLRAMP1CALCARAMP3CALCR
Mk3207 SCHEMBL29359897 0.99 CALCRL (1.00) CALCRLRAMP1CALCARAMP3CALCR
Mk3207 SCHEMBL13599187 0.99 CALCRL (1.00) CALCRLRAMP1CALCARAMP3CALCR
Mk3207 SCHEMBL31231899 0.99 CALCRL (1.00) CALCRLRAMP1CALCARAMP3CALCR
Mk3207 SCHEMBL13599294 0.99 CALCRL (1.00) CALCRLRAMP1CALCARAMP3CALCR
Mk3207 SCHEMBL992191 0.99 CALCRL (1.00) CALCRLRAMP1CALCARAMP3CALCR
Mk3207 SCHEMBL1274245 0.99 CALCRL (0.99) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL13599417 0.93 CALCRL (0.88) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL13599233 0.93 CALCRL (0.88) CALCRLRAMP1CALCARAMP3CALCR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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 (2 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-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CALCRL 2/4885RAMP1 75/4885CALCA 16/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CALCRL 2/4885RAMP1 70/4885CALCA 16/4885

“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.