SCHEMBL3143733

SCHEMBL3143733

NC1=NCC(COc2ccc(C3C4CCCC3CCC4)cc2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
GRM2 Q14416 4/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3143729 1.00 TSHR (0.36) TSHRCYP3A4CYP2D6GRM2PARP15
SCHEMBL3133842 0.87 TSHR (0.35) TSHRCYP3A4CYP2D6GRM2TDP1
SCHEMBL3148695 0.86 HRH3 (0.40) TSHRCYP3A4CYP2D6GRM2PARP15
SCHEMBL1008382 0.85 HRH3 (0.42) CYP3A4PARP15PARP10TDP1MEN1
SCHEMBL3142637 0.85 HRH3 (0.42) CYP3A4PARP15PARP10TDP1MEN1
SCHEMBL1008349 0.85 HRH3 (0.42) CYP3A4PARP15PARP10TDP1MEN1
SCHEMBL3133659 0.82 HRH3 (0.43) TSHRCYP3A4CYP2D6GRM2
SCHEMBL1513808 0.80 TSHR (0.41) TSHRCYP3A4CYP2D6GRM2TDP1
SCHEMBL1513582 0.80 TSHR (0.41) TSHRCYP3A4CYP2D6GRM2TDP1
SCHEMBL3135510 0.80 GRM2 (0.50) GRM2

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-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
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 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-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C TSHR 513/4885CYP3A4 1201/4885CYP2D6 413/4885

“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.