SCHEMBL2061402

SCHEMBL2061402

COc1cccc2c1CC(N1CCOCC1)CCC2

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ABCB1 P08183 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL2917832 0.90 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1CHRM3ABCB1
SCHEMBL4215401 0.84 CHRM2 (0.55) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL9727207 0.84 CHRM2 (0.55) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL11393302 0.83 SIGMAR1 (0.54) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL8677765 0.83 SIGMAR1 (0.54) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
Hydrochloric Acid SCHEMBL7935858 0.82 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
Hydrochloric Acid SCHEMBL7933015 0.82 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL9239027 0.80 DRD2 (0.54) SIGMAR1CHRM2CHRM1CHRM3DRD2
SCHEMBL8674841 0.79 CHRM2 (0.56) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
Hydrochloric Acid SCHEMBL9242362 0.79 DRD2 (0.52) SIGMAR1CHRM2CHRM1CHRM3DRD2

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 SIGMAR1 3683/4885CHRM2 2093/4885CHRM1 2262/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET SIGMAR1 3683/4885CHRM2 2093/4885CHRM1 2262/4885

“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.