SCHEMBL1721146

SCHEMBL1721146

CC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1)NC=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
PYCR1 P32322 1/20 0.43
KDR P35968 1/20 0.40
P2RX7 Q99572 6/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL1720788 0.84 PTPN7 (0.42) P2RX7
SCHEMBL2600033 0.78 IDO1 (0.57) IDO1PYCR1KDRP2RX7LMNA
SCHEMBL12497617 0.76 IDO1 (0.51) IDO1PYCR1KDRP2RX7
SCHEMBL1720267 0.75 TAAR1 (0.39) IDO1LMNAMAOB
SCHEMBL1720743 0.75 IDO1 (0.58) IDO1PYCR1KDRP2RX7LMNA
SCHEMBL8824450 0.75 SLC6A4 (0.50) LMNAMAPT
SCHEMBL4084168 0.75 IDO1 (0.57) IDO1PYCR1KDRP2RX7FAAH
SCHEMBL1720925 0.74 POLQ (0.45) P2RX7KDM4EMAPT
SCHEMBL564639 0.74 RIPK1 (0.39) LMNAMAOBMAPT
SCHEMBL1719722 0.74 HTR2A (0.46) IDO1LMNAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730126-B1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
US-7244728-B2 Long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-17 US disclosed
EP-1730126-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-13 EP disclosed
WO-2005092870-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO disclosed
US-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
EP-1577306-A1 novel benzoxazinone derivatives as slow-acting betamimetics and use thereof in treatment of respiratory tract diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-09-21 EP 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 (1 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-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases ADRA1D, ADRB2, ADRA1A IDO1 1541/4885PYCR1 1209/4885KDR 4495/4885

“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.