SCHEMBL5134800

SCHEMBL5134800

CCC(CCN(C)C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.57
CA1 P00915 4/20 0.57
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CCR1 P32246 1/20 0.32
CYP2C19 P33261 1/20 0.31
GCLC P48506 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30

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
Hydrochloric Acid SCHEMBL1199927 0.98 CA2 (0.55) CA2CA1USP2TSHRMAPK1
SCHEMBL21197509 0.86 CA2 (0.62) CA2CA1USP2TSHRMAPK1
SCHEMBL27936996 0.81 CA1 (0.36) CA2CA1CCR1CYP2C19NOS3
SCHEMBL30082512 0.80 CA2 (0.55) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL8368605 0.80 CA2 (0.56) CA2CA1USP2TSHRMAPK1
SCHEMBL28762283 0.79 CA2 (0.53) CA2CA1SLC1A2SLC1A1
SCHEMBL30554829 0.79 CA2 (0.53) CA2CA1SLC1A2SLC1A1
SCHEMBL10398723 0.79 CA2 (0.53) CA2CA1SLC1A2SLC1A1
SCHEMBL30554831 0.79 CA2 (0.53) CA2CA1SLC1A2SLC1A1
SCHEMBL18631408 0.79 CA2 (0.53) CA2CA1SLC1A2SLC1A1

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-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20080269238-A1 Thiazolopyrimidine Derivative FGFR3, FGFR1, ERBB3 CA2 1664/4885CA1 3591/4885USP2 4586/4885

“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.