SCHEMBL13099028

SCHEMBL13099028

O=C[C@H]1CC[C@H](c2nnc(-c3ccc(N4CCC(OCC5CCCCC5)CC4)nc3)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
ADRA1A P35348 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
DGAT1 O75907 10/20 0.33
KCNH2 Q12809 7/20 0.33
ADORA2A P29274 4/20 0.33
GPR119 Q8TDV5 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL13099098 0.87 MAPT (0.33) HRH3ALDH1A1
SCHEMBL13098844 0.86 GPR119 (0.37) ADRA1ADGAT1GPR119
SCHEMBL13099155 0.86 ADORA3 (0.41) PDE10AADRA1AHRH3DGAT1KCNH2
SCHEMBL13099191 0.86 DGAT1 (0.36) HRH3DGAT1KCNH2ADORA2A
SCHEMBL13098840 0.84 GPR119 (0.38) ADRA1AGPR119
SCHEMBL13098849 0.82 PDE10A (0.36) PDE10AADRA1AHRH3DGAT1KCNH2
SCHEMBL13098799 0.80 ADORA3 (0.41) PDE10AADRA1AHRH3DGAT1KCNH2
SCHEMBL13098816 0.78 HRH3 (0.32) HRH3
SCHEMBL13098855 0.76 HRH3 (0.31) HRH3
SCHEMBL13098863 0.76 HRH3 (0.34) HRH3ALDH1A1

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 PDE10A 4039/4885ADRA1A 4341/4885HRH3 2183/4885

“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.