SCHEMBL13098780

SCHEMBL13098780

COC(=O)[C@H]1CC[C@H](c2nnc(-c3ccc(N4CCC(OC5CCCCC5)CC4)cc3)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 4/20 0.37
USP2 O75604 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CSNK2A2 P19784 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
SCHEMBL13098786 0.89 MAPT (0.38) MAPTPDE3BPDE3AHRH3USP2
SCHEMBL13099083 0.88 MAPT (0.38) MAPTPDE3BPDE3ASMN1; SMN2MEN1
SCHEMBL13098783 0.88 KDM4E (0.37) SMN1; SMN2MEN1KMT2AHRH3KDM4E
SCHEMBL13099130 0.88 DGAT1 (0.42) SMN1; SMN2MEN1KMT2AHRH3KDM4E
SCHEMBL13098861 0.87 ALDH1A1 (0.36) MAPTPDE3BPDE3ASMN1; SMN2HRH3
SCHEMBL13098910 0.87 KDM4E (0.37) SMN1; SMN2MEN1KMT2AHRH3KDM4E
SCHEMBL13099111 0.84 USP2 (0.41) MAPTSMN1; SMN2USP2ALDH1A1
SCHEMBL13099208 0.84 MAPT (0.42) MAPTPDE3BPDE3ASMN1; SMN2MEN1
SCHEMBL13098869 0.84 MAPT (0.37) MAPTPDE3BPDE3ASMN1; SMN2MEN1
SCHEMBL3101680 0.83 MAPT (0.43) MAPTPDE3BPDE3ASMN1; SMN2MEN1

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 3126/4885PDE3B 1964/4885PDE3A 2130/4885

“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.