SCHEMBL976575

SCHEMBL976575

CC1(CO)NCC(C)(c2cc(F)cc(F)c2)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
AR P10275 1/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL12948266 0.80 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL978109 0.77 CALCRL (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1066821 0.77 CALCRL (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1072169 0.75 ALDH1A1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL979336 0.75 ALDH1A1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL979164 0.75 ALDH1A1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1014602 0.72 ADAMTS5 (0.33) ADAMTS5HCAR3HCAR2
SCHEMBL976480 0.72 ADAMTS5 (0.33) ADAMTS5HCAR3HCAR2
SCHEMBL979168 0.72 ADAMTS5 (0.33) ADAMTS5HCAR3HCAR2
SCHEMBL979166 0.72 ADAMTS5 (0.33) 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 1378/4885CHRNA1 164/4885CHRNG 100/4885

“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.