SCHEMBL6799588

SCHEMBL6799588

CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccc(OC(=O)C[N+]2(C)CCNCC2)cc1)CC1(c2ccccn2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NMBR P28336 16/20 0.45
SOAT2 O75908 3/20 0.35
SOAT1 P35610 3/20 0.35
ACAT1 P24752 1/20 0.32

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
SCHEMBL6802108 0.82 NMBR (0.42) NMBRSOAT2SOAT1
SCHEMBL6186309 0.82 NMBR (0.51) NMBRSOAT2SOAT1ACAT1
SCHEMBL6803553 0.81 NMBR (0.50) NMBRSOAT2SOAT1ACAT1
SCHEMBL6804233 0.80 NMBR (0.52) NMBRSOAT2SOAT1ACAT1
SCHEMBL6805340 0.79 NMBR (0.48) NMBRSOAT2SOAT1ACAT1
SCHEMBL6182338 0.78 NMBR (0.47) NMBRSOAT2SOAT1ACAT1
SCHEMBL6218992 0.77 NMBR (0.46) NMBRSOAT2SOAT1ACAT1
SCHEMBL6185673 0.76 NMBR (0.45) NMBRSOAT2SOAT1ACAT1
SCHEMBL6803622 0.76 NMBR (0.45) NMBRSOAT2SOAT1ACAT1
SCHEMBL6183511 0.76 NMBR (0.49) NMBR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR NMBR 211/4885SOAT2 3379/4885SOAT1 3334/4885

“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.