SCHEMBL3133659

SCHEMBL3133659

NC1=NCC(COc2ccc(C3CCOCC3)cc2)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
AOC3 Q16853 2/20 0.33
ACACB O00763 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
XDH P47989 1/20 0.33
GRM2 Q14416 1/20 0.33
PDE9A O76083 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
SCHEMBL3148695 0.90 HRH3 (0.40) HRH3KCNH2CYP3A4CYP2D6TSHR
SCHEMBL3142637 0.88 HRH3 (0.42) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL1008382 0.88 HRH3 (0.42) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL1008349 0.88 HRH3 (0.42) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL3138214 0.84 TSHR (0.33) CYP3A4ACACBCYP2D6TSHRGRM2
SCHEMBL3138865 0.83 TSHR (0.36) HRH3KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3143729 0.82 TSHR (0.36) CYP3A4CYP2D6TSHRGRM2
SCHEMBL3143733 0.82 TSHR (0.36) CYP3A4CYP2D6TSHRGRM2
SCHEMBL3148518 0.79 TSHR (0.35) CYP3A4CYP2D6TSHRGRM2
SCHEMBL1513582 0.78 TSHR (0.41) CYP3A4CYP2D6TSHRGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137193-B1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2017-08-09 EP disclosed
US-8642603-B2 Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2014-02-04 US disclosed
US-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2010-03-25 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-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C HRH3 36/4885KCNH2 400/4885CYP3A4 1201/4885

“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.