SCHEMBL6184436

SCHEMBL6184436

CCN(CC)C(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc4cc(Cl)c(C)cc34)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
CYP2C9 P11712 3/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
MOK Q9UQ07 1/20 0.39
POLB P06746 1/20 0.39
SMYD2 Q9NRG4 1/20 0.38

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
SCHEMBL6182731 0.91 ACACB (0.56) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL977857 0.85 ACACB (0.51) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6184046 0.82 ACACB (0.66) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6184044 0.81 CYP2C9 (0.58) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6183704 0.81 ACACB (0.57) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6184042 0.81 ACACB (0.53) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6182624 0.79 CYP2C9 (0.57) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6184830 0.78 CYP2C9 (0.55) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6182658 0.78 CYP2C9 (0.55) ACACBACACACYP2C9KDM4ESMN1; SMN2
SCHEMBL6185621 0.77 CYP2C9 (0.73) ACACBACACACYP2C9KDM4ESMN1; SMN2

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 1/4885CYP2C9 1250/4885

“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.