SCHEMBL101444

SCHEMBL101444

c1cn(C2CCC3(CC2)OCCO3)nn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL12984443 0.77
SCHEMBL14722189 0.76 EPHX2 (0.33) EPHX2HCAR2
SCHEMBL23743045 0.73
SCHEMBL17675657 0.73 EPHX1 (0.38) EPHX1EPHX2HCAR2
SCHEMBL20032245 0.71 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL20031998 0.71 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL20031997 0.71 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL5683395 0.71 EPHX1 (0.37) EPHX1EPHX2HCAR2
Ammonia Solution, Strong SCHEMBL27350163 0.71 EPHX1 (0.37) EPHX1EPHX2HCAR2
SCHEMBL30158302 0.71

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US disclosed
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US disclosed
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US disclosed
EP-2104674-B1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2013-05-01 EP disclosed
EP-1879879-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2013-03-27 EP disclosed
EP-2559692-A1 Thiophene analogues for the treatment or prevention of Flavivirus infections Virochem Pharma Inc. (CA) 2013-02-20 EP disclosed
EP-2559691-A1 Thiophene analogues for the treatment or prevention of Flavivirus infections Virochem Pharma Inc. (CA) 2013-02-20 EP disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 US disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 US disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 US disclosed
WO-2008058393-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2008-05-22 WO disclosed
EP-1879879-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Virochem Pharma Inc. (CA) 2008-01-23 EP disclosed
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-12-07 US disclosed
WO-2006119646-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2006-11-16 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 (2 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-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 EPHX1 776/4885EPHX2 2946/4885HCAR2 4712/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 EPHX1 207/4885EPHX2 1646/4885HCAR2 4348/4885

“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.