SCHEMBL6184046

SCHEMBL6184046

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.66
ACACA Q13085 1/20 0.66
CYP2C9 P11712 4/20 0.63
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
TRPV1 Q8NER1 3/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6185621 0.94 CYP2C9 (0.73) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6184040 0.90 CYP2C9 (0.72) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6182731 0.87 ACACB (0.56) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6184710 0.87 ACACB (0.66) ACACBACACA
SCHEMBL6183704 0.86 ACACB (0.57) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6184044 0.85 CYP2C9 (0.58) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6184042 0.85 ACACB (0.53) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6182624 0.85 CYP2C9 (0.57) ACACBACACACYP2C9KDM4EMAPK1
SCHEMBL6182473 0.85 ACACB (0.80) ACACBACACACYP2C9KDM4EALDH1A1
SCHEMBL6182099 0.84 CYP2C9 (0.59) ACACBACACACYP2C9NPSR1LMNA

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.