SCHEMBL6181008

SCHEMBL6181008

CN(C)CCN(Cc1ccccc1)C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.77
ACACA Q13085 14/20 0.77
CCR5 P51681 4/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL6186264 0.93 ACACB (0.79) ACACBACACACCR5KCNH2
SCHEMBL3465044 0.87 ACACB (1.00) ACACBACACA
SCHEMBL977942 0.87 ACACB (1.00) ACACBACACA
SCHEMBL3462988 0.87 ACACB (1.00) ACACBACACA
SCHEMBL6181251 0.86 ACACB (0.85) ACACBACACA
SCHEMBL6183884 0.85 ACACB (0.70) ACACBACACACCR5KCNH2
SCHEMBL6187150 0.85 ACACB (0.70) ACACBACACACCR5KCNH2MEN1
SCHEMBL6181355 0.85 ACACB (0.94) ACACBACACA
SCHEMBL6182512 0.84 ACACB (0.80) ACACBACACA
SCHEMBL6180208 0.83 ACACB (0.78) ACACBACACA

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-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 (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-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.