SCHEMBL3701519

SCHEMBL3701519

C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 1.00
RAMP1 O60894 7/20 1.00
RAMP3 O60896 1/20 0.85
CALCR P30988 1/20 0.85
CALCA P06881 1/20 0.71

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
SCHEMBL13599216 1.00 CALCRL (1.00) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599407 1.00 CALCRL (1.00) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599199 0.99 CALCRL (0.99) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599202 0.99 CALCRL (0.99) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599406 0.99 CALCRL (0.99) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL6344413 0.99 CALCRL (0.99) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599198 0.99 CALCRL (0.99) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13993499 0.99 CALCRL (0.99) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL6345471 0.92 CALCRL (0.85) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL6344216 0.92 CALCRL (1.00) CALCRLRAMP1RAMP3CALCRCALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
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
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 (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-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR CALCRL 1/4885RAMP1 54/4885RAMP3 23/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CALCRL 2/4885RAMP1 75/4885RAMP3 95/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CALCRL 2/4885RAMP1 70/4885RAMP3 67/4885

“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.