SCHEMBL451176

SCHEMBL451176

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
HDAC4 P56524 1/20 0.48
FFAR1 O14842 6/20 0.44
KCNH2 Q12809 1/20 0.44
EPHX2 P34913 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.41
NAMPT P43490 1/20 0.41
DGAT1 O75907 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
IDO1 P14902 2/20 0.39

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
SCHEMBL12128175 1.00 HRH3 (0.59) HRH3HDAC4FFAR1KCNH2EPHX2
SCHEMBL451175 1.00 HRH3 (0.59) HRH3HDAC4FFAR1KCNH2EPHX2
SCHEMBL15314478 1.00 HRH3 (0.59) HRH3HDAC4FFAR1KCNH2EPHX2
SCHEMBL27813823 0.89 HRH3 (0.60) HRH3HDAC4KCNH2KDM1AMAOA
SCHEMBL23550031 0.87 HRH3 (0.58) HRH3HDAC4KCNH2KDM1AMAOA
SCHEMBL27699501 0.87 HRH3 (0.58) HRH3HDAC4FFAR1KCNH2KDM1A
SCHEMBL1476708 0.85 FFAR1 (0.49) HRH3FFAR1CYP3A4NAMPTIDO1
SCHEMBL12128172 0.83 HRH3 (0.55) HRH3HDAC4KCNH2KDM1AMAOA
SCHEMBL451266 0.83 HRH3 (0.55) HRH3HDAC4KCNH2KDM1AMAOA
SCHEMBL15314513 0.83 HRH3 (0.55) HRH3HDAC4KCNH2KDM1AMAOA

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
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
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 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 (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 3/4885HDAC4 155/4885FFAR1 48/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 HRH3 3/4885HDAC4 162/4885FFAR1 43/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 HRH3 3/4885HDAC4 198/4885FFAR1 49/4885

“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.