SCHEMBL1720495

SCHEMBL1720495

CC(C)(N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
TACR1 P25103 4/20 0.49
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
CACNA1C Q13936 2/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR2C P28335 1/20 0.40
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
DAO P14920 2/20 0.37
CES2 O00748 1/20 0.37
TSHR P16473 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
SCHEMBL2600027 0.84 IDO1 (0.48) IDO1TACR1TAAR1CACNA1CHTR2A
SCHEMBL1720582 0.82 HTR2A (0.59) IDO1TACR1SLC6A2TAAR1HTR2A
SCHEMBL21058260 0.81 IDO1 (0.47) IDO1TACR1TAAR1CACNA1CCACNA1G
SCHEMBL1721099 0.80 SLC6A2 (0.57) IDO1SLC6A2TAAR1HTR2AHTR2B
SCHEMBL13413643 0.78 IDO1 (0.44) IDO1TACR1CACNA1CHTR2AHTR2B
SCHEMBL20132761 0.78 IDO1 (0.44) IDO1TACR1TAAR1HTR2AHTR2B
SCHEMBL5705765 0.78 IDO1 (0.44) IDO1TACR1CACNA1CCACNA1GCACNA1H
SCHEMBL28071127 0.77 SLC6A2 (0.62) SLC6A2TAAR1CACNA1CCACNA1GCACNA1H
SCHEMBL15784566 0.77 IDO1 (0.43) IDO1TACR1TAAR1CACNA1CCACNA1G
Hydrochloric Acid SCHEMBL6485639 0.75 IDO1 (0.46) IDO1TACR1CACNA1CCACNA1GCACNA1H

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 5 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

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 1541/4885TACR1 208/4885SLC6A2 715/4885

“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.