SCHEMBL976641

SCHEMBL976641

CCN(C(=O)[C@@H]1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.79
ACACA Q13085 14/20 0.79
CCR5 P51681 1/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
KDM2B Q8NHM5 3/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL6182583 0.91 ACACB (0.75) ACACBACACAKDM2BGAA
SCHEMBL977942 0.89 ACACB (1.00) ACACBACACAKDM4ELMNAKDM2B
SCHEMBL3465044 0.89 ACACB (1.00) ACACBACACAKDM4ELMNAKDM2B
SCHEMBL3462988 0.89 ACACB (1.00) ACACBACACAKDM4ELMNAKDM2B
SCHEMBL6184783 0.88 ACACB (0.67) ACACBACACACCR5KCNH2KDM2B
SCHEMBL6182631 0.88 ACACB (0.84) ACACBACACAKDM4ELMNAKDM2B
SCHEMBL6181355 0.88 ACACB (0.94) ACACBACACAKDM4ELMNAKDM2B
SCHEMBL975322 0.86 ACACB (0.69) ACACBACACAKDM2BGAA
SCHEMBL6182512 0.85 ACACB (0.80) ACACBACACAKDM2BGAA
SCHEMBL6181768 0.85 ACACB (0.79) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 US claimed
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
US-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 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 (2 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 1/4885CCR5 4267/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885CCR5 2982/4885

“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.