SCHEMBL872020

SCHEMBL872020

OB(O)c1ccc(O)cc1CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2A13 Q16696 5/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HIF1A Q16665 1/20 0.45
CTSB P07858 1/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL28815879 0.82 CYP2C9 (0.50) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
SCHEMBL8800403 0.82 CTSB (0.62) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
SCHEMBL16028316 0.79 CYP2A13 (0.61) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
SCHEMBL871630 0.79 CYP2A13 (0.61) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
SCHEMBL29957045 0.79 CYP2A13 (0.65) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
SCHEMBL10398153 0.79 CYP2C9 (0.66) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
SCHEMBL2465626 0.79 CYP2A13 (0.65) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
Water SCHEMBL27791264 0.78 CYP2C9 (0.56) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29951393 0.78 CYP2A13 (0.63) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6
Methoxymethane SCHEMBL11148661 0.77 CYP2C9 (0.58) CYP2C9ALOX15HSD17B10CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778156-B1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB (SE) 2016-11-30 EP disclosed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
EP-2778156-A1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states AstraZeneca AB (Publ) (SE) 2014-09-17 EP disclosed
US-8273774-B2 Phenoxypyridinylamide compounds ASTRAZENECA AB (SE) 2012-09-25 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
EP-2297106-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES AstraZeneca AB (SE) 2011-03-23 EP disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100041638-A1 Chemical Compounds 293 ASTRAZENECA AB (SE) 2010-02-18 US disclosed
WO-2009144494-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (4 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B CYP2C9 835/4885ALOX15 1947/4885HSD17B10 365/4885
US-20100041638-A1 Chemical Compounds 293 PDE4B, PDE4A, PDE3B CYP2C9 175/4885ALOX15 2847/4885HSD17B10 254/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B CYP2C9 835/4885ALOX15 1947/4885HSD17B10 365/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A CYP2C9 688/4885ALOX15 2751/4885HSD17B10 360/4885

“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.