SCHEMBL2065684

SCHEMBL2065684

COc1ccc(CN2C(=O)NC(C)(c3cc(F)cc(F)c3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 3/20 0.49
CMA1 P23946 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL1773322 0.77 CMA1 (0.60) ALDH1A1MAPK1SMN1; SMN2KDM4EHTT
SCHEMBL13792804 0.76 HTT (0.45) ALDH1A1MAPK1SMN1; SMN2KDM4EHTT
SCHEMBL15973283 0.76 SCN9A (0.51) ALDH1A1MAPK1SMN1; SMN2KDM4EHTT
SCHEMBL10246144 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL10246065 0.73 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL20640259 0.73 OPRM1 (0.62) ALDH1A1MAPK1KDM4EHTTLMNA
SCHEMBL10246127 0.72 TDP1 (0.39) ALDH1A1MAPK1SMN1; SMN2TDP1MEN1
SCHEMBL4349583 0.72 CMA1 (0.44) ALDH1A1SMN1; SMN2KDM4EHTTCMA1
SCHEMBL4342280 0.72 CMA1 (0.44) ALDH1A1KDM4EHTTLMNACMA1
SCHEMBL2065788 0.71 CMA1 (0.42) ALDH1A1MAPK1SMN1; SMN2KDM4EHTT

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
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
EP-2134342-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-12-23 EP disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL ALDH1A1 843/4885MAPK1 2480/4885SMN1; SMN2 3944/4885

“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.