SCHEMBL20187188

SCHEMBL20187188

N[C@H]1CN(C(=O)O)C[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAOB P27338 9/20 0.48
MAOA P21397 9/20 0.48
KDM1A O60341 6/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2B6 P20813 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A3 Q01959 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2C P28335 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
SCHEMBL15716390 1.00 KDM4E (0.49) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL28218449 1.00 KDM4E (0.49) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL1967702 0.86 DPP4 (0.54) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL13484245 0.86 KDM4E (0.46) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL19893577 0.85 MAOA (0.47) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL5199579 0.85 MAOA (0.47) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL1967275 0.85 MAOA (0.47) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL5806555 0.85 MAOA (0.47) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL19893576 0.85 MAOA (0.47) KDM4EMAPTHPGDMAOBMAOA
SCHEMBL2239136 0.85 MAOA (0.47) KDM4EMAPTHPGDMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 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 (6 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 KDM4E 3174/4885MAPT 3426/4885HPGD 3197/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 KDM4E 3174/4885MAPT 3426/4885HPGD 3197/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM4E 3174/4885MAPT 3426/4885HPGD 3197/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 KDM4E 2961/4885MAPT 2615/4885HPGD 2906/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM4E 3174/4885MAPT 3426/4885HPGD 3197/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 KDM4E 2961/4885MAPT 2615/4885HPGD 2906/4885

“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.