SCHEMBL1760977

SCHEMBL1760977

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.62
OPRM1 P35372 9/20 0.59
CHRM4 P08173 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
OPRK1 P41145 4/20 0.55
OPRD1 P41143 4/20 0.55
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
EBP Q15125 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL2925749 0.88 OPRM1 (0.63) OPRL1OPRM1CHRM4MEN1KMT2A
SCHEMBL3139132 0.86 OPRL1 (0.61) OPRL1OPRM1CHRM4MEN1KMT2A
SCHEMBL14282343 0.84 POLB (0.61) OPRL1OPRM1MEN1KMT2AOPRK1
SCHEMBL3133824 0.83 OPRM1 (0.56) OPRL1OPRM1CHRM4MEN1KMT2A
SCHEMBL14282310 0.82 S1PR2 (0.60) OPRL1OPRM1CHRM4MEN1KMT2A
SCHEMBL13660794 0.81 TACR1 (0.56) OPRL1OPRM1CHRM4MEN1KMT2A
SCHEMBL5912310 0.81 GRIN2B (0.63) OPRL1OPRM1CHRM4MAPTRAB9A
SCHEMBL31557722 0.81 OPRL1 (0.62) OPRL1OPRM1MEN1KMT2AOPRK1
SCHEMBL10079145 0.80 OPRL1 (0.64) OPRL1OPRM1MEN1KMT2AOPRK1
SCHEMBL27725860 0.80 OPRL1 (0.54) OPRL1OPRM1CHRM4MEN1KMT2A

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 13 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
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US 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
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
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
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US 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 OPRL1 2021/4885OPRM1 3240/4885CHRM4 1145/4885

“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.