SCHEMBL6184040

SCHEMBL6184040

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.72
ACACB O00763 1/20 0.62
ACACA Q13085 1/20 0.62
MAPT P10636 1/20 0.55
PKM P14618 2/20 0.54
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.46
DNMT1 P26358 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6184046 0.90 ACACB (0.66) CYP2C9ACACBACACAALDH1A1KDM4E
SCHEMBL6185621 0.87 CYP2C9 (0.73) CYP2C9ACACBACACAALDH1A1KDM4E
SCHEMBL6182473 0.82 ACACB (0.80) CYP2C9ACACBACACAALDH1A1KDM4E
SCHEMBL6182404 0.81 ACACB (0.70) CYP2C9ACACBACACAKDM4ELMNA
SCHEMBL6182181 0.81 ACACB (0.79) ACACBACACAKDM4ELMNAGAA
SCHEMBL6184044 0.79 CYP2C9 (0.58) CYP2C9ACACBACACAALDH1A1KDM4E
SCHEMBL6182731 0.79 ACACB (0.56) CYP2C9ACACBACACAALDH1A1KDM4E
SCHEMBL6182624 0.79 CYP2C9 (0.57) CYP2C9ACACBACACAMAPTALDH1A1
SCHEMBL6182099 0.79 CYP2C9 (0.59) CYP2C9ACACBACACAMAPTMEN1
SCHEMBL977942 0.77 ACACB (1.00) ACACBACACAKDM4ELMNA

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.