SCHEMBL1720743

SCHEMBL1720743

CC(C)(N)Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
SLC6A2 P23975 2/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PYCR1 P32322 1/20 0.49
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
LMNA P02545 1/20 0.39
KDR P35968 1/20 0.39
P2RX7 Q99572 4/20 0.39

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
SCHEMBL2600033 0.86 IDO1 (0.57) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL1721015 0.81 SLC6A2 (0.48) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL12215710 0.80 SLC6A2 (0.61) IDO1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL482928 0.79 SLC6A2 (0.55) IDO1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL2600197 0.79 IDO1 (0.57) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL257060 0.78 IDO1 (0.61) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL39753 0.78 IDO1 (0.66) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL10656615 0.77 IDO1 (0.65) IDO1SLC6A4PYCR1HTR3EHTR3B
SCHEMBL6481380 0.76 IDO1 (0.58) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL932921 0.76 IDO1 (0.62) IDO1SLC6A4PYCR1HTR3EHTR3B

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 1541/4885SLC6A2 715/4885HTR2A 157/4885

“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.