SCHEMBL2928876

SCHEMBL2928876

O=C(O)N1CCN(C(CO)c2cccc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.55
CACNB1 Q02641 9/20 0.55
CACNA1B Q00975 8/20 0.55
CACNA1C Q13936 6/20 0.55
CACNA1G O43497 3/20 0.55
MC4R P32245 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CACNA1A O00555 1/20 0.42

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
Urea SCHEMBL27762549 0.96 CACNA2D1 (0.52) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4874915 0.83 TACR1 (0.39) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL2925593 0.82 ALDH1A1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL27762548 0.80 CACNA2D1 (0.45) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL27675030 0.75 CACNA2D1 (0.44) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5592155 0.73 ATM (0.51) MEN1KMT2APOLBLMNATSHR
SCHEMBL27662329 0.72 CHRM3 (0.59) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL14593379 0.72 CYP3A4 (0.50) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL27676020 0.72 TSHR (0.52) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL27655175 0.72 CACNA2D1 (0.46) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN 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
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO 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 CACNA2D1 3368/4885CACNB1 1903/4885CACNA1B 1457/4885

“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.