SCHEMBL247961

SCHEMBL247961

CC(C)Oc1ccc(CN)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.59
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
P2RX3 P56373 1/20 0.41
S1PR1 P21453 9/20 0.39
S1PR5 Q9H228 3/20 0.39
S1PR3 Q99500 2/20 0.39
KCNH2 Q12809 1/20 0.38
IDO1 P14902 1/20 0.37
S1PR4 O95977 1/20 0.37
LOXL2 Q9Y4K0 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
SCHEMBL14328002 0.85 RXRA (0.57) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL932902 0.84 RXRA (0.56) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL30488261 0.84 RXRA (0.59) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL2415055 0.84 RXRA (0.59) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL2019451 0.84 RXRA (0.59) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL26179843 0.83 RXRA (0.54) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL3166206 0.81 HTR2A (0.50) CSNK2A1S1PR1IDO1LOXL2
Hydrochloric Acid SCHEMBL6778197 0.80 HTR2A (0.49) CSNK2A1S1PR1IDO1LOXL2
SCHEMBL16816533 0.79 RXRA (0.55) CSNK2A1RXRARXRBRXRGCTSS
SCHEMBL11338379 0.78 GAA (0.50) CSNK2A1RXRARXRBRXRGCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 CSNK2A1 2992/4885RXRA 2253/4885RXRB 2182/4885

“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.