SCHEMBL6184044

SCHEMBL6184044

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3cc(-c4ccncc4)nc4ccc(C)cc34)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.58
ACACB O00763 1/20 0.54
ACACA Q13085 1/20 0.54
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 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
SCHEMBL6182624 0.92 CYP2C9 (0.57) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6182658 0.89 CYP2C9 (0.55) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6182731 0.86 ACACB (0.56) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184046 0.85 ACACB (0.66) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184042 0.85 ACACB (0.53) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184830 0.85 CYP2C9 (0.55) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6182099 0.83 CYP2C9 (0.59) CYP2C9ACACBACACAGLANPSR1
SCHEMBL6185621 0.83 CYP2C9 (0.73) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184436 0.81 ACACB (0.53) CYP2C9ACACBACACAKDM4ESMN1; SMN2
SCHEMBL6184040 0.79 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.