SCHEMBL1720610

SCHEMBL1720610

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPFFR2 Q9Y5X5 3/20 0.53
▸ NPFFR1 Q9GZQ6 2/20 0.53
▸ KDR P35968 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ NOTUM Q6P988 3/20 0.38
▸ AR P10275 1/20 0.38
▸ PYCR1 P32322 1/20 0.37
▸ TRPA1 O75762 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
SCHEMBL22787048 0.80 NPFFR2 (0.48) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL1720823 0.80 KIF11 (0.38) ARTRPA1
SCHEMBL8997541 0.80 NPFFR2 (0.45) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL8997535 0.80 NPFFR2 (0.45) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL16952200 0.79 NPFFR2 (0.57) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL4800123 0.78 NPFFR1 (0.49) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL2908923 0.78 NPFFR1 (0.49) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL15298179 0.78 ALDH1A1 (0.50) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL4800117 0.78 NPFFR1 (0.49) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL46855 0.77 NPFFR2 (0.54) NPFFR2NPFFR1KDRHTR3EHTR3B

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 NPFFR2 1225/4885NPFFR1 868/4885KDR 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.

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