SCHEMBL1672276

SCHEMBL1672276

CCOC(=O)c1cc(N)ccc1OCCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
GAA P10253 5/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
FDPS P14324 1/20 0.43
TSHR P16473 2/20 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
SCHEMBL26640241 0.87 GAA (0.51) CYP1A2GAAMAPTALDH1A1MEN1
SCHEMBL6588826 0.87 LMNA (0.53) CYP1A2LMNACYP3A4MAOACYP2D6
SCHEMBL31107344 0.85 CYP1A2 (0.55) CYP1A2LMNACYP3A4MAOACYP2D6
SCHEMBL1671606 0.84 LMNA (0.53) CYP1A2LMNACYP3A4MAOAGAA
SCHEMBL8176195 0.83 ALDH1A1 (0.46) CYP1A2LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL12799983 0.83 GAA (0.41) CYP1A2LMNACYP3A4MAOACYP2D6
SCHEMBL1734452 0.83 CYP2D6 (0.65) CYP1A2LMNACYP3A4MAOACYP2D6
SCHEMBL23882961 0.80 FDPS (0.41) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL264389 0.80 KDM4E (0.47) CYP1A2CYP3A4CYP2D6GAAMAPT
SCHEMBL28701055 0.80 TSHR (0.61) LMNAMAPTALDH1A1KMT2AHSD17B10

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
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 CYP1A2 62/4885LMNA 2939/4885CYP3A4 131/4885

“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.