SCHEMBL6186087

SCHEMBL6186087

O=C(c1cc(-c2ccccc2)cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.73
ACACA Q13085 7/20 0.73
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM2B Q8NHM5 2/20 0.45
ADRA1A P35348 1/20 0.44
PLAUR Q03405 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
SCHEMBL6182411 0.85 ACACB (0.66) ACACBACACAALDH1A1TSHRMEN1
SCHEMBL976549 0.85 ACACB (1.00) ACACBACACAMEN1KMT2ACHRM3
SCHEMBL3459079 0.85 ACACB (1.00) ACACBACACAMEN1KMT2ACHRM3
SCHEMBL6183609 0.84 ACACB (0.71) ACACBACACACYP2C9ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6181697 0.84 ACACB (0.98) ACACBACACAMEN1KMT2ACHRM3
SCHEMBL6182670 0.81 ACACB (0.93) ACACBACACAMEN1KMT2ACHRM3
SCHEMBL977472 0.80 ACACB (0.71) ACACBACACA
SCHEMBL4298592 0.79 ACACB (0.59) ACACBACACAALDH1A1MEN1KMT2A
SCHEMBL4293983 0.78 ACACB (0.57) ACACBACACAALDH1A1MEN1KMT2A
SCHEMBL977639 0.78 ACACB (0.86) ACACBACACACHRM3GAAKDM2B

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.