SCHEMBL6184830

SCHEMBL6184830

CCN(CC)C(=O)[C@@H]1CCCN(C2CCN(C(=O)c3cc(-c4ccncc4)nc4cc(C(F)(F)F)ccc34)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.55
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
TRPV1 Q8NER1 7/20 0.46
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL6182658 0.94 CYP2C9 (0.55) CYP2C9ACACBACACATRPV1KDM4E
SCHEMBL6184042 0.90 ACACB (0.53) CYP2C9ACACBACACATRPV1KDM4E
SCHEMBL6184044 0.85 CYP2C9 (0.58) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6182624 0.84 CYP2C9 (0.57) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184046 0.83 ACACB (0.66) CYP2C9ACACBACACATRPV1KDM4E
SCHEMBL6185621 0.80 CYP2C9 (0.73) CYP2C9ACACBACACATRPV1KDM4E
SCHEMBL6185309 0.80 ACACB (0.53) CYP2C9ACACBACACATRPV1KDM4E
SCHEMBL6182731 0.79 ACACB (0.56) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184436 0.78 ACACB (0.53) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184040 0.77 CYP2C9 (0.72) CYP2C9ACACBACACAKDM4ESMN1; 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 CYP2C9 1250/4885ACACB 2/4885ACACA 1/4885

“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.