SCHEMBL4901020

SCHEMBL4901020

CC(C)(C)OC(=O)N[C@H](CCO)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
APP P05067 4/20 0.56
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
ACE P12821 1/20 0.53
SYK P43405 1/20 0.51
CYP3A4 P08684 5/20 0.49
KLK5 Q9Y337 1/20 0.49
AKT1 P31749 1/20 0.48

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
SCHEMBL4903888 1.00 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL1845669 1.00 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL15159951 0.93 ATM (0.73) ATMAPPCTSSCTSKCTSL
SCHEMBL2617278 0.89 ATM (0.57) ATMAPPCTSSCTSKCTSL
SCHEMBL29060748 0.89 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL13999532 0.89 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL30487217 0.89 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL13999332 0.89 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL28678626 0.89 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL257912 0.89 ATM (0.71) ATMAPPCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
CN-107001259-A Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2017-08-01 CN disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
WO-2017066742-A1 BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE JORTAN PHARMACEUTICALS INC. (US) 2017-04-20 WO disclosed
EP-2231628-B1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES INC (US) 2015-10-28 EP disclosed
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
WO-2009088719-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-16 WO disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 US disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 ATM 4182/4885APP 4191/4885CTSS 1167/4885
US-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 ATM 2199/4885APP 1270/4885CTSS 2941/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 ATM 2199/4885APP 1270/4885CTSS 2941/4885
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR ATM 45/4885APP 3143/4885CTSS 1730/4885

“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.