SCHEMBL440558

SCHEMBL440558

O=C([C@H]1CC1c1ccccc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
SIGMAR1 Q99720 2/20 0.81

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
SCHEMBL15314500 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL440560 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL452599 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL449941 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL15314491 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL452598 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL449940 1.00 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL438454 0.99 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL15314501 0.99 HRH3 (1.00) HRH3SIGMAR1
SCHEMBL452624 0.99 HRH3 (1.00) HRH3SIGMAR1

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 HRH3 3/4885SIGMAR1 82/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 HRH3 3/4885SIGMAR1 122/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 HRH3 3/4885SIGMAR1 155/4885

“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.