SCHEMBL489624

SCHEMBL489624

CCOC(=O)c1ccnc(C(=O)OCC)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.43
NUDT1 P36639 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41

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
SCHEMBL27888086 0.90 CYP1A2 (0.57) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL6197890 0.86 CYP1A2 (0.53) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL12396913 0.84 CYP1A2 (0.49) CYP1A2MAPTALDH1A1KDM4ENPC1
SCHEMBL24759732 0.83 CYP1A2 (0.47) CYP1A2KMT2ANUDT1TSHRCA12
SCHEMBL164477 0.83 CYP1A2 (0.61) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL163702 0.83 CYP1A2 (0.47) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL2684912 0.81 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL17420893 0.81 CYP1A2 (0.46) CYP1A2MAPTALDH1A1NPC1RAB9A
SCHEMBL16796251 0.81 KMT2A (0.47) CYP1A2MAPTALDH1A1KDM4ENPC1
SCHEMBL8883554 0.81 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 EP disclosed
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 EP disclosed
EP-2435402-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2016-04-13 EP disclosed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 WO disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2435402-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 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 (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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CYP1A2 2658/4885MAPT 478/4885ALDH1A1 1125/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE CYP1A2 2658/4885MAPT 478/4885ALDH1A1 1125/4885
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A CYP1A2 916/4885MAPT 3493/4885ALDH1A1 1473/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CYP1A2 2658/4885MAPT 478/4885ALDH1A1 1125/4885

“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.