SCHEMBL2171960

SCHEMBL2171960

CCOC(=O)C1(CC2CC2)CCN(c2nc(O)c3cc(OC)c(OC)cc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44

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
SCHEMBL2170894 0.89 WHR1 (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2170933 0.85 WHR1 (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2170928 0.84 L3MBTL1 (0.52) MEN1KMT2APOLBMAPK1L3MBTL1
SCHEMBL2172163 0.81 EHMT2 (0.45) EHMT2EHMT1
SCHEMBL2171214 0.80 WHR1 (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2173189 0.80 EHMT2 (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13333129 0.80 ADRA1A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2174116 0.78 EHMT2 (0.44) EHMT2EHMT1
SCHEMBL2171036 0.77 EHMT2 (0.46) EHMT2EHMT1
SCHEMBL14715465 0.77 PDE10A (0.45) KMT2AADRA2AADRA2BADRA2CADRA1D

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
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO 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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A MEN1 4383/4885KMT2A 2094/4885POLB 3104/4885

“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.