SCHEMBL6183609

SCHEMBL6183609

O=C(c1nc(-c2ccccc2)cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.71
ACACA Q13085 17/20 0.71
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 2/20 0.47

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
SCHEMBL977472 0.86 ACACB (0.71) ACACBACACA
SCHEMBL6186087 0.84 ACACB (0.73) ACACBACACAALDH1A1LMNATSHR
SCHEMBL3459079 0.83 ACACB (1.00) ACACBACACA
SCHEMBL976549 0.83 ACACB (1.00) ACACBACACA
SCHEMBL6184472 0.83 ACACB (0.78) ACACBACACA
Hydrochloric Acid SCHEMBL6181697 0.82 ACACB (0.98) ACACBACACA
SCHEMBL6182670 0.80 ACACB (0.93) ACACBACACA
SCHEMBL6182411 0.80 ACACB (0.66) ACACBACACAALDH1A1TSHR
SCHEMBL4293840 0.79 ACACB (0.58) ACACBACACAALDH1A1LMNA
SCHEMBL6182950 0.78 ACACB (0.55) ACACBACACAALDH1A1LMNATSHR

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 1/4885ALDH1A1 654/4885

“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.