SCHEMBL2061129

SCHEMBL2061129

CCC1C(=O)N(CC)CCc2ccc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
ADRB2 P07550 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR5A P47898 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MTNR1B P49286 10/20 0.45
MTNR1A P48039 4/20 0.42
DRD1 P21728 2/20 0.41
DRD2 P14416 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL11705648 0.77 HTR2C (0.51) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL2062282 0.77 BRD4 (0.49) HTR2BHTR1AADRA2A
SCHEMBL24892629 0.75 DRD2 (0.58) HTR2CHTR2BDRD1DRD2DRD3
SCHEMBL12718802 0.74 HRH3 (0.51) HTR2CHTR2BDRD1DRD2DRD5
SCHEMBL885867 0.74 DRD1 (0.54) DRD1DRD2DRD5DRD3
SCHEMBL2060754 0.73 HTR2C (0.52) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL29438671 0.72 PRMT5 (0.51) DRD1DRD2DRD3
SCHEMBL471627 0.72 PRMT5 (0.51) DRD1DRD2DRD3
SCHEMBL7923947 0.70 METAP1 (0.46) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL11714750 0.69 HTR2A (0.42) HTR2CHTR2BADRB2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (2 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET HTR2C 1394/4885HTR2B 1769/4885ADRB2 1966/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET HTR2C 1394/4885HTR2B 1769/4885ADRB2 1966/4885

“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.