SCHEMBL2933405

SCHEMBL2933405

O=C(O)N1CCN(Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HTT P42858 2/20 0.61
SIGMAR1 Q99720 2/20 0.54
FAAH O00519 1/20 0.53
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL2233426 0.88 FAAH (0.48) ALDH1A1HTTFAAH
SCHEMBL21618404 0.87 FAAH (0.53) ALDH1A1HTTSIGMAR1FAAHKDM4E
SCHEMBL2312576 0.84 FAAH (0.54) ALDH1A1HTTSIGMAR1FAAHKDM4E
SCHEMBL4789120 0.83 DPP4 (0.57) ALDH1A1HTTFAAHDPP4DPP8
SCHEMBL21802504 0.83 ALDH1A1 (0.49) ALDH1A1HTTFAAHKDM4ETSHR
SCHEMBL21391900 0.82 FAAH (0.65) FAAH
SCHEMBL28838411 0.81 ALDH1A1 (0.46) ALDH1A1HTTFAAHKDM4E
SCHEMBL17005948 0.81 VEGFA (0.59) ALDH1A1HTTSIGMAR1FAAHDPP4
SCHEMBL2931705 0.80 AKR1C3 (0.65) ALDH1A1SIGMAR1FAAHKDM4EPOLB
SCHEMBL16226483 0.80 ALDH1A1 (0.69) ALDH1A1HTTSIGMAR1POLBLMNA

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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP 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 ALDH1A1 676/4885HTT 4631/4885SIGMAR1 1930/4885

“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.