SCHEMBL6499458

SCHEMBL6499458

O=C([C@@H]1CCC[N+](C(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)(C2CCNCC2)C1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.39
CHRM3 P20309 1/20 0.39
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PLAT P00750 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
CNR2 P34972 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6620852 0.72 RECQL (0.47) HTTKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL6624779 0.69 ALDH1A1 (0.40) KMT2ASMN1; SMN2MEN1HPGDTSHR
SCHEMBL6182411 0.67 ACACB (0.66) FASNKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL493454 0.66 CHRNB2 (0.62) HTTKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL6620194 0.66 CYP1A2 (0.37) KMT2AMEN1HPGDTSHRKDM4E
Ammonia Solution, Strong SCHEMBL1764234 0.65 CHRNB2 (0.60) HTTKMT2ASMN1; SMN2MEN1HPGD
Hydrochloric Acid SCHEMBL2591580 0.65 CHRNB2 (0.60) HTTKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL3103326 0.62 MAPT (0.60) HTTKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL23779171 0.61 TSHR (0.49) HTTKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL2145938 0.61 TSHR (0.49) HTTKMT2ASMN1; SMN2MEN1HPGD

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 2 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
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 FASN 50/4885CHRM3 2865/4885HTT 3558/4885

“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.