SCHEMBL979168

SCHEMBL979168

CN1C[C@@](C)(c2cc(F)cc(F)c2)NC(=O)[C@@]1(C)CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
PLA2G7 Q13093 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL976482 1.00 ADAMTS5 (0.33) ADAMTS5PLA2G7HCAR3HCAR2
SCHEMBL1014602 1.00 ADAMTS5 (0.33) ADAMTS5PLA2G7HCAR3HCAR2
SCHEMBL979166 1.00 ADAMTS5 (0.33) ADAMTS5PLA2G7HCAR3HCAR2
SCHEMBL976480 1.00 ADAMTS5 (0.33) ADAMTS5PLA2G7HCAR3HCAR2
SCHEMBL976484 1.00 ADAMTS5 (0.33) ADAMTS5PLA2G7HCAR3HCAR2
SCHEMBL977281 0.78 DUT (0.30)
SCHEMBL977283 0.78 DUT (0.30)
SCHEMBL977284 0.78 DUT (0.30)
SCHEMBL12028357 0.77 CALCRL (0.36) HCAR3HCAR2
SCHEMBL976575 0.72 ADAMTS5 (0.34) ADAMTS5HCAR3HCAR2

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
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
EP-2271346-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR ADAMTS5 1378/4885PLA2G7 421/4885HCAR3 97/4885

“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.