SCHEMBL10246065

SCHEMBL10246065

CCCN1C(=O)NC(C)(c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KCNH2 Q12809 1/20 0.39
PLA2G7 Q13093 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10246144 0.84 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPK1LMNA
SCHEMBL10246127 0.81 TDP1 (0.39) ALDH1A1MAPK1TDP1SMN1; SMN2KMT2A
SCHEMBL10246211 0.79 BACE1 (0.44) ALDH1A1GAATSHR
SCHEMBL10246005 0.78 DRD2 (0.38) ALDH1A1MAPK1TDP1SMN1; SMN2KMT2A
SCHEMBL10246117 0.74 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL14069181 0.74 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL10246364 0.74 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL13706697 0.73 CNR1 (0.51) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2065684 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EMAPK1LMNATDP1
SCHEMBL10246143 0.72 MEN1 (0.39) ALDH1A1KMT2AMEN1KCNH2

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-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US 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
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US 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 843/4885GAA 3739/4885KDM4E 3358/4885

“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.