SCHEMBL1761001

SCHEMBL1761001

O=C(Cl)N1CCC(Cc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.71
SPR P35270 1/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
MAPK14 Q16539 3/20 0.58
HTR2B P41595 2/20 0.58
FAAH O00519 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MGLL Q99685 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
TACR1 P25103 1/20 0.54

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
SCHEMBL21138804 0.91 HSD11B1 (0.62) TACR3SPRCYP2C9CYP2C19MAPK14
SCHEMBL7419173 0.90 CYP2C9 (0.65) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL2931988 0.87 TACR3 (0.75) TACR3SPRCYP2C9CYP2C19MAPK14
SCHEMBL21763292 0.84 TACR3 (0.71) TACR3SPRCYP2C9CYP2C19MAPK14
SCHEMBL18620100 0.84 TACR3 (0.71) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL4576675 0.81 L3MBTL1 (0.64) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL21081443 0.81 TACR3 (0.66) TACR3SPRCYP2C9CYP2C19MAPK14
SCHEMBL12000466 0.81 TACR3 (0.66) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL14930107 0.81 TACR3 (0.66) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL2636547 0.80 MEN1 (0.68) TACR3CYP2C9CYP2C19MAPK14HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TACR3 1336/4885SPR 1666/4885CYP2C9 2221/4885

“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.