SCHEMBL3101680

SCHEMBL3101680

COC(=O)C1CCC(c2nnc(-c3ccc(N4CCC(C)(C)CC4)cc3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
USP2 O75604 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PDK2 Q15119 1/20 0.35
LGMN Q99538 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GALR3 O60755 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL13099208 0.87 MAPT (0.42) MAPTUSP2PDE3BPDE3AMEN1
SCHEMBL13098856 0.87 ALDH1A1 (0.38) MAPTUSP2SMN1; SMN2HRH3KDM4E
SCHEMBL13098869 0.86 MAPT (0.37) MAPTUSP2PDE3BPDE3AMEN1
Hydrochloric Acid SCHEMBL9408126 0.86 MAPT (0.41) MAPTUSP2PDE3BPDE3AMEN1
SCHEMBL13099157 0.85 HRH3 (0.42) MAPTUSP2PDE3BPDE3AMEN1
SCHEMBL13098780 0.83 MAPT (0.41) MAPTUSP2PDE3BPDE3AMEN1
SCHEMBL9407986 0.82 GPR119 (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13098859 0.81 PTPN11 (0.32) HRH3JAK2JAK1JAK3
SCHEMBL13099111 0.81 USP2 (0.41) MAPTUSP2SMN1; SMN2ALDH1A1GALR3
SCHEMBL13099083 0.80 MAPT (0.38) MAPTUSP2PDE3BPDE3AMEN1

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 4 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
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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 3126/4885USP2 3571/4885PDE3B 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.