SCHEMBL13099191

SCHEMBL13099191

O=C[C@H]1CC[C@H](c2nnc(-c3ccc(-c4ccc(N5CCC(OC6CCCCC6)CC5)nc4)cc3)s2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.36
KCNH2 Q12809 12/20 0.36
ADORA2A P29274 8/20 0.36
SOAT1 P35610 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CNR2 P34972 2/20 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
SCHEMBL13098816 0.90 HRH3 (0.32) HRH3
SCHEMBL13098855 0.89 HRH3 (0.31) HRH3
SCHEMBL13098863 0.87 HRH3 (0.34) HRH3
SCHEMBL13099028 0.86 PDE10A (0.35) DGAT1KCNH2ADORA2AHRH3
SCHEMBL13099108 0.85 DGAT1 (0.40) DGAT1KCNH2ADORA2AHRH3
SCHEMBL13099130 0.84 DGAT1 (0.42) DGAT1KCNH2ADORA2ASOAT1HRH3
SCHEMBL13098844 0.77 GPR119 (0.37) DGAT1
SCHEMBL3107287 0.77 HRH3 (0.43) HRH3
SCHEMBL13098840 0.76 GPR119 (0.38)
SCHEMBL13098784 0.76 DGAT1 (0.39) DGAT1KCNH2ADORA2AHRH3

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-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS DGAT1 3651/4885KCNH2 3669/4885ADORA2A 4727/4885

“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.