SCHEMBL2331703

SCHEMBL2331703

CC(C)(C)C1C(N)C(c2ccccc2)CN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 8/20 0.41
MAOA P21397 7/20 0.41
KDM1A O60341 6/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2C P28335 1/20 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
SCHEMBL17104487 0.88 RIPK1 (0.43) KDM4EMAPTHPGDKDM1ASLC6A2
SCHEMBL4114277 0.84 RIPK1 (0.41) KDM4EMAPTHPGDKDM1ASLC6A2
SCHEMBL3991385 0.84 RIPK1 (0.41) KDM4EMAPTHPGDKDM1ASLC6A2
SCHEMBL4099326 0.84 RIPK1 (0.41) KDM4EMAPTHPGDKDM1ASLC6A2
SCHEMBL5805602 0.80 KDM1A (0.39) KDM1ASLC6A2SLC6A3RIPK1SLC6A4
SCHEMBL18226601 0.75 KDM1A (0.40) KDM4EMAOBMAOAKDM1ASLC6A2
SCHEMBL2538318 0.73
SCHEMBL2242113 0.72 RIPK1 (0.48) KDM1ASLC6A2SLC6A3RIPK1SLC6A4
SCHEMBL2428503 0.71 POLB (0.32)
SCHEMBL3993930 0.71 ALDH1A1 (0.37) KDM1ASLC6A3DRD3SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP 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
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 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 (3 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 KDM4E 1238/4885MAPT 299/4885HPGD 2258/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 KDM4E 3174/4885MAPT 3426/4885HPGD 3197/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM4E 3174/4885MAPT 3426/4885HPGD 3197/4885

“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.