SCHEMBL1709941

SCHEMBL1709941

CC(C)(C)OC(=O)NCC1(CC2CC2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
EPHX1 P07099 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 4/20 0.36
ACACB O00763 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
ACACA Q13085 2/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A9 P48067 2/20 0.33
GAA P10253 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL30158378 0.83 TDP1 (0.41) HCRTR2EPHX1KMT2AALDH1A1MEN1
SCHEMBL6637726 0.83 HCRTR2 (0.39) HCRTR2EPHX1KMT2AALDH1A1MEN1
SCHEMBL16926453 0.81 HCRTR2 (0.37) HCRTR2EPHX1CTSSCTSKKMT2A
SCHEMBL20347070 0.80 HCRTR2 (0.36) HCRTR2EPHX1CTSSCTSKKMT2A
SCHEMBL23070850 0.78 HCRTR2 (0.40) HCRTR2EPHX1CTSSCTSKKMT2A
SCHEMBL12070264 0.77 HCRTR2 (0.43) HCRTR2EPHX1KMT2AALDH1A1MEN1
SCHEMBL2348782 0.77 HCRTR2 (0.40) HCRTR2EPHX1KMT2AALDH1A1MEN1
SCHEMBL4511007 0.77 HCRTR2 (0.36) HCRTR2EPHX1KMT2AALDH1A1MEN1
SCHEMBL1972449 0.76 HCRTR2 (0.39) HCRTR2EPHX1KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL22495697 0.76 HCRTR2 (0.42) HCRTR2EPHX1KMT2AALDH1A1MEN1

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-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 HCRTR2 4198/4885EPHX1 485/4885CTSS 2049/4885

“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.