SCHEMBL2933131

SCHEMBL2933131

O=C(O)N1CCC(N2Cc3ccccc3C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
KCNH2 Q12809 2/20 0.55
L3MBTL3 Q96JM7 7/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
TP53BP1 Q12888 3/20 0.49
DPP8 Q6V1X1 1/20 0.46
MBTD1 Q05BQ5 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
HDAC4 P56524 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL2925583 0.91 ADRA1A (0.53) HRH3KCNH2SIGMAR1ADRA1A
SCHEMBL28612826 0.85 ADRA1A (0.54) HRH3KCNH2L3MBTL3L3MBTL1SIGMAR1
SCHEMBL17506450 0.83 OPRM1 (0.45) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL21381773 0.82 NAMPT (0.41) HRH3KCNH2L3MBTL3L3MBTL1TP53BP1
SCHEMBL2213618 0.82 PARP1 (0.43) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL21381774 0.82 DPP4 (0.42) HRH3KCNH2L3MBTL3L3MBTL1TP53BP1
SCHEMBL20456197 0.80 HRH3 (0.60) HRH3KCNH2L3MBTL3L3MBTL1KMT2A
SCHEMBL26131899 0.78 KEAP1 (0.59) KDM4EKMT2ASMN1; SMN2
SCHEMBL26963004 0.77 MEN1 (0.42) HRH3KCNH2L3MBTL3L3MBTL1KDM4E
SCHEMBL4969367 0.77 KDM4E (0.67) L3MBTL3L3MBTL1MBTD1KDM4EKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R HRH3 147/4885KCNH2 1270/4885L3MBTL3 4834/4885

“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.