SCHEMBL1761033

SCHEMBL1761033

O=C(Cl)N1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.56
▸ CHRM4 P08173 1/20 0.55
▸ HTR2C P28335 2/20 0.55
▸ CCR2 P41597 2/20 0.50
▸ RBP4 P02753 1/20 0.50
▸ GRM2 Q14416 2/20 0.49
▸ USP5 P45974 1/20 0.48
▸ MGLL Q99685 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ DRD4 P21917 1/20 0.45

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
SCHEMBL1581482 0.87 DRD2 (0.58) DRD2CHRM4HTR2CCCR2RBP4
SCHEMBL4813515 0.85 CHRM4 (0.58) DRD2CHRM4HTR2CCCR2RBP4
SCHEMBL5535882 0.82 LIPE (0.51) HTR2CMGLL
SCHEMBL27741973 0.82 HTR2C (0.50) DRD2CHRM4HTR2CCCR2RBP4
SCHEMBL15840485 0.81 DRD2 (0.54) DRD2CHRM4HTR2CUSP5EPHX2
SCHEMBL17208434 0.79 DRD2 (0.55) DRD2CHRM4HTR2CCCR2RBP4
SCHEMBL348554 0.79 HSD11B1 (0.69) DRD2CCR2MGLL
SCHEMBL1065758 0.78 HTR2C (0.77) DRD2HTR2CGRM2DRD4
SCHEMBL21959006 0.78 TEAD1 (0.61) DRD2CHRM4HTR2CRBP4
SCHEMBL5447949 0.78 DRD2 (0.51) DRD2CHRM4HTR2CCCR2RBP4

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 7 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 disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 — — US 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 DRD2 1770/4885CHRM4 1145/4885HTR2C 697/4885

“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.

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