SCHEMBL977641

SCHEMBL977641

O=C(c1c2ccccc2cc2ccccc12)N1CC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.86
ACACA Q13085 12/20 0.86
CHRM3 P20309 1/20 0.46
KDM2B Q8NHM5 6/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL977639 1.00 ACACB (0.86) ACACBACACACHRM3KDM2BGAA
SCHEMBL3459079 0.93 ACACB (1.00) ACACBACACACHRM3
SCHEMBL976549 0.93 ACACB (1.00) ACACBACACACHRM3
Hydrochloric Acid SCHEMBL6181697 0.92 ACACB (0.98) ACACBACACACHRM3
SCHEMBL6182670 0.89 ACACB (0.93) ACACBACACACHRM3
SCHEMBL6620653 0.88 ACACB (0.68) ACACBACACACHRM3KDM2BGAA
SCHEMBL6620649 0.86 ACACB (0.65) ACACBACACACHRM3KDM2BGAA
SCHEMBL6183505 0.84 ACACB (0.84) ACACBACACAKDM2BGAA
SCHEMBL976349 0.83 ACACB (0.83) ACACBACACAKDM2B
SCHEMBL2622325 0.83 ACACB (0.83) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP claimed
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
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP 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 1/4885CHRM3 1037/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885CHRM3 2865/4885

“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.