SCHEMBL13099083

SCHEMBL13099083

COC(=O)[C@H]1CC[C@H](c2nnc(-c3ccc(N4CCC(OCC5CCCCC5)CC4)cc3)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HCRTR2 O43614 3/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
USP2 O75604 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 4/20 0.34
NR1H4 Q96RI1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13099155 0.88 ADORA3 (0.41) HCRTR2MEN1KMT2ASMN1; SMN2HRH3
SCHEMBL13098780 0.88 MAPT (0.41) MAPTPDE3BPDE3AUSP2MEN1
SCHEMBL13098785 0.87 HCRTR2 (0.39) HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL13098799 0.86 ADORA3 (0.41) MEN1KMT2ASMN1; SMN2HRH3
SCHEMBL13099111 0.86 USP2 (0.41) MAPTUSP2SMN1; SMN2ALDH1A1
SCHEMBL13099098 0.85 MAPT (0.33) MAPTUSP2HRH3ALDH1A1NR1H4
SCHEMBL13098932 0.85 HCRTR2 (0.39) HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL13099112 0.84 DRD2 (0.44) MAPTUSP2ALDH1A1JAK3
SCHEMBL6135390 0.82 PDE4D (0.45) MAPTUSP2MEN1KMT2AHRH3
SCHEMBL13099208 0.81 MAPT (0.42) MAPTPDE3BPDE3AUSP2MEN1

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 MAPT 3126/4885HCRTR2 4028/4885PDE3B 1964/4885

“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.