SCHEMBL2065788

SCHEMBL2065788

CCC(C(=O)O)N1C(=O)N(Cc2ccc(OC)cc2)C(=O)C1(C)c1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.42
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN9A Q15858 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM5 P08912 1/20 0.36
LDHA P00338 1/20 0.36
CASP3 P42574 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4342280 0.82 CMA1 (0.44) CMA1GSK3AGSK3BKDM4EHTT
SCHEMBL4349583 0.80 CMA1 (0.44) CMA1GSK3AGSK3BKDM4EHTT
SCHEMBL2065684 0.71 ALDH1A1 (0.56) CMA1GSK3AGSK3BKDM4EHTT
SCHEMBL2065230 0.68 HCAR3 (0.36)
SCHEMBL13793190 0.68 CMA1 (0.42) CMA1GSK3AGSK3BKDM4EHTT
SCHEMBL7503526 0.65 CMA1 (0.59) CMA1GSK3AGSK3BKDM4EHTT
SCHEMBL430661 0.63 CMA1 (0.66) CMA1GSK3AGSK3BKDM4EHTT
SCHEMBL7449650 0.63 CMA1 (0.56) CMA1GSK3AGSK3BALDH1A1TDP1
SCHEMBL15974814 0.61 CMA1 (0.50) CMA1GSK3AGSK3BKDM4EALDH1A1
SCHEMBL13792804 0.60 HTT (0.45) CMA1GSK3AGSK3BKDM4EHTT

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 2 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 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 (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 CMA1 1324/4885EDNRB 4/4885EDNRA 18/4885

“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.