SCHEMBL976349

SCHEMBL976349

O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.83
ACACA Q13085 15/20 0.83
MBTD1 Q05BQ5 1/20 0.50
TP53BP1 Q12888 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM2B Q8NHM5 2/20 0.47

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
SCHEMBL2622325 1.00 ACACB (0.83) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL6183505 0.99 ACACB (0.84) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL6185174 0.95 ACACB (0.78) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL6181556 0.92 ACACB (0.80) ACACBACACAKDM2B
SCHEMBL6180950 0.91 ACACB (0.78) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL3459079 0.91 ACACB (1.00) ACACBACACAL3MBTL3L3MBTL1
SCHEMBL6491415 0.91 ACACB (0.78) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL976549 0.91 ACACB (1.00) ACACBACACAL3MBTL3L3MBTL1
SCHEMBL6182816 0.90 ACACB (0.78) ACACBACACAMBTD1TP53BP1L3MBTL3
SCHEMBL6184986 0.90 ACACB (0.77) ACACBACACAKDM2B

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 3 patents. 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
EP-2150265-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM Neuera Pharmaceuticals, Inc. (US) 2010-02-10 EP disclosed
WO-2008140828-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM ACCERA, INC. (US) 2008-11-20 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-20110003767-A1 Inhibitors of Acetyl-CoA Carboxylase for Treatment of Neuronal Hypometabolism ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885MBTD1 848/4885

“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.