SCHEMBL455274

SCHEMBL455274

COC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
KCNH2 Q12809 1/20 0.46
HDAC4 P56524 1/20 0.44
SSTR4 P31391 3/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
IDO1 P14902 2/20 0.40
SSTR1 P30872 1/20 0.39
SLC6A2 P23975 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP3A4 P08684 1/20 0.38
NAMPT P43490 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DGAT1 O75907 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL15314513 1.00 HRH3 (0.55) HRH3KCNH2HDAC4SSTR4FPR1
SCHEMBL12128172 1.00 HRH3 (0.55) HRH3KCNH2HDAC4SSTR4FPR1
SCHEMBL451266 1.00 HRH3 (0.55) HRH3KCNH2HDAC4SSTR4FPR1
SCHEMBL18828640 0.86 HRH3 (0.52) HRH3KCNH2HDAC4SSTR4SSTR1
SCHEMBL15797826 0.86 HRH3 (0.52) HRH3KCNH2HDAC4SSTR4SSTR1
SCHEMBL15805108 0.86 HRH3 (0.52) HRH3KCNH2HDAC4SSTR4SSTR1
SCHEMBL15805085 0.86 HRH3 (0.52) HRH3KCNH2HDAC4SSTR4SSTR1
SCHEMBL15797825 0.86 HRH3 (0.52) HRH3KCNH2HDAC4SSTR4SSTR1
SCHEMBL23550031 0.85 HRH3 (0.58) HRH3KCNH2HDAC4SSTR4FPR1
SCHEMBL27813823 0.84 HRH3 (0.60) HRH3KCNH2HDAC4SSTR4TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-2007025774-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 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 (3 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 2528/4885HDAC4 155/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 3168/4885HDAC4 162/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 HRH3 3/4885KCNH2 3127/4885HDAC4 198/4885

“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.