SCHEMBL2401345

SCHEMBL2401345

CC(C)(O)Cc1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
IDO1 P14902 2/20 0.42
NR3C1 P04150 1/20 0.42
TSHR P16473 2/20 0.40
SLC6A2 P23975 1/20 0.39
PYCR1 P32322 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ANO1 Q5XXA6 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CYP2A13 Q16696 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35

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
SCHEMBL30388724 1.00 RIPK1 (0.45) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL31451156 0.83 RIPK1 (0.42) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL1691374 0.82 RIPK1 (0.47) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL5292044 0.79 TAAR1 (0.50) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL15638695 0.78 TAAR1 (0.50) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL18623577 0.78 TAAR1 (0.44) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL11970972 0.77 RIPK1 (0.47) RIPK1TAAR1IDO1NR3C1TSHR
Hydrochloric Acid SCHEMBL12802349 0.77 IDO1 (0.48) RIPK1TAAR1IDO1NR3C1TSHR
Hydrochloric Acid SCHEMBL30165733 0.77 IDO1 (0.48) RIPK1TAAR1IDO1NR3C1TSHR
SCHEMBL16393647 0.76 RIPK1 (0.47) RIPK1TAAR1IDO1ALDH1A1LMNA

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 CN disclosed
EP-4046995-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2023-09-13 EP disclosed
EP-4046995-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2023-09-13 EP disclosed
CN-110225964-B Composition with muguet smell 弗门尼舍有限公司 2023-05-23 CN disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
EP-4046995-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS Sunovion Pharmaceuticals Inc. (US) 2022-08-24 EP disclosed
EP-3256466-B9 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2022-07-27 EP disclosed
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2022-06-16 US disclosed
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2022-06-16 US disclosed
EP-3256466-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2022-04-06 EP disclosed
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
WO-2011116348-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2011-09-22 WO disclosed
WO-2011116348-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2011-09-22 WO disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 RIPK1 607/4885TAAR1 4000/4885IDO1 1231/4885
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 RIPK1 3358/4885TAAR1 71/4885IDO1 376/4885
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT BRDT, BRI3BP, BTN3A1 RIPK1 3197/4885TAAR1 4110/4885IDO1 2970/4885

“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.