SCHEMBL977119

SCHEMBL977119

O=C(NCC(F)(F)F)[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.64
ACACA Q13085 14/20 0.64
KDM2B Q8NHM5 4/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6182739 0.87 ACACB (0.72) ACACBACACAKDM2BKDM4E
SCHEMBL6185219 0.86 ACACB (0.56) ACACBACACAKDM2BKDM4EMEN1
SCHEMBL976639 0.85 ACACB (0.61) ACACBACACAKDM2B
SCHEMBL6182596 0.84 ACACB (0.70) ACACBACACAKDM2B
SCHEMBL6183371 0.83 ACACB (0.67) ACACBACACAKDM2B
SCHEMBL6183078 0.83 ACACB (0.67) ACACBACACAKDM2BL3MBTL1GAA
SCHEMBL977837 0.82 ACACB (0.66) ACACBACACAKDM2BGAA
SCHEMBL2622326 0.82 ACACB (0.66) ACACBACACAKDM2BGAA
SCHEMBL3465253 0.82 ACACB (0.74) ACACBACACAKDM2BL3MBTL1GAA
SCHEMBL6183390 0.82 ACACB (0.74) ACACBACACAKDM2BL3MBTL1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003767-A1 Inhibitors of Acetyl-CoA Carboxylase for Treatment of Neuronal Hypometabolism NEUERA PHARMACEUTICALS, INC. (US) 2011-01-06 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-20110003767-A1 Inhibitors of Acetyl-CoA Carboxylase for Treatment of Neuronal Hypometabolism ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885KDM2B 1784/4885

“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.