SCHEMBL440565

SCHEMBL440565

CC(C)(C)OC(=O)[C@H]1CC1c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 4/20 0.45
HRH3 Q9Y5N1 2/20 0.43
SLC6A2 P23975 3/20 0.41
KDM1A O60341 5/20 0.41
KCNH2 Q12809 2/20 0.41
MAOB P27338 2/20 0.41
RCOR1 Q9UKL0 2/20 0.41
KDM1B Q8NB78 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
RORC P51449 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL451958 1.00 SLC6A4 (0.45) SLC6A4SLC6A3HRH3SLC6A2KDM1A
SCHEMBL15314508 1.00 SLC6A4 (0.45) SLC6A4SLC6A3HRH3SLC6A2KDM1A
SCHEMBL799768 0.86 ALDH1A1 (0.54) SLC6A4SLC6A3SLC6A2KDM1AMAPK1
SCHEMBL13859341 0.84 SLC9A1 (0.50) SLC6A4SLC6A3HRH3SLC6A2
SCHEMBL12894946 0.84 SLC9A1 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL12894947 0.84 SLC9A1 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL804952 0.84 SLC9A1 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL15977398 0.84 MAPK1 (0.55) HRH3KDM1AMAOBRORCMAPK1
SCHEMBL15977397 0.84 MAPK1 (0.55) HRH3KDM1AMAOBRORCMAPK1
SCHEMBL15977388 0.84 MAPK1 (0.55) HRH3KDM1AMAOBRORCMAPK1

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 5 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
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
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 SLC6A4 1367/4885SLC6A3 2457/4885HRH3 3/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 SLC6A4 1763/4885SLC6A3 3016/4885HRH3 3/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 SLC6A4 1699/4885SLC6A3 2877/4885HRH3 3/4885

“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.