SCHEMBL1403622

SCHEMBL1403622

CCOc1ccc(C(=O)O)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NNMT P40261 1/20 0.46
P4HTM Q9NXG6 5/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL1544188 0.80 NNMT (0.68) MAPTNNMTP4HTML3MBTL1KDM4E
SCHEMBL4266171 0.79 HTT (0.53) MAPTHTTTSHRMEN1ALDH1A1
SCHEMBL15968757 0.76 KMO (0.42) NNMTHTTL3MBTL1KDM4EKMT2A
SCHEMBL1645260 0.76 CYP1A2 (0.56) MAPTKDM4ETSHRMEN1ALDH1A1
SCHEMBL15350224 0.75 L3MBTL1 (0.44) NNMTP4HTML3MBTL1KDM4EALDH1A1
SCHEMBL698657 0.74 KDM4E (0.52) MAPTNNMTP4HTML3MBTL1KDM4E
SCHEMBL31547029 0.73 NNMT (0.41) NNMTP4HTMHTTL3MBTL1KDM4E
SCHEMBL29683116 0.73 MAPK8 (0.55) MAPTP4HTML3MBTL1KDM4ETSHR
SCHEMBL12168624 0.73 MAPK8 (0.55) MAPTP4HTML3MBTL1KDM4ETSHR
SCHEMBL15350505 0.73 L3MBTL1 (0.42) MAPTNNMTHTTL3MBTL1KDM4E

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 21 patents — showing the first 20. 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
EP-3327013-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2019-04-24 EP disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3327013-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS Celgene Corporation (US) 2018-05-30 EP disclosed
EP-3061758-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2018-01-31 EP disclosed
US-9801868-B2 5-substituted isoindoline compounds CELGENE CORPORATION (US) 2017-10-31 US disclosed
EP-3186224-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
US-20160346264-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION 2016-12-01 US disclosed
EP-3061758-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS Celgene Corporation (US) 2016-08-31 EP disclosed
EP-2749559-B1 5-substituted isoindoline compounds CELGENE CORP (US) 2016-04-27 EP disclosed
WO-2016030310-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
EP-2291365-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2015-03-11 EP disclosed
US-20150005303-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION 2015-01-01 US disclosed
US-8877780-B2 5-substituted isoindoline compounds CELGENE CORPORATION (US) 2014-11-04 US disclosed
EP-2749559-A1 5-substituted isoindoline compounds CELGENE CORPORATION (US) 2014-07-02 EP disclosed
EP-2291365-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2011-03-09 EP disclosed
WO-2009145899-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2009-12-03 WO disclosed
US-20090142297-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION 2009-06-04 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 (5 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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 MAPT 3651/4885NNMT 1950/4885P4HTM 1267/4885
US-20160346264-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CYP3A5, CYP3A7, CYP3A4 MAPT 1498/4885NNMT 318/4885P4HTM 2013/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 MAPT 3651/4885NNMT 1950/4885P4HTM 1267/4885
US-20150005303-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CYP3A5, CYP3A7, CYP3A4 MAPT 1498/4885NNMT 318/4885P4HTM 2013/4885
US-20090142297-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CYP3A5, CYP3A7, CYP3A4 MAPT 1498/4885NNMT 318/4885P4HTM 2013/4885

“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.