SCHEMBL775581

SCHEMBL775581

O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.71
SIGMAR1 Q99720 5/20 0.58

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
SCHEMBL776337 0.98 HRH3 (0.72) HRH3SIGMAR1
SCHEMBL776259 0.85 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL4397875 0.85 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL4397873 0.85 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL26327824 0.84 SIGMAR1 (0.58) HRH3SIGMAR1
SCHEMBL26327884 0.84 SIGMAR1 (0.58) HRH3SIGMAR1
SCHEMBL437374 0.83 HRH3 (1.00) HRH3
SCHEMBL440566 0.83 HRH3 (1.00) HRH3
SCHEMBL453109 0.83 HRH3 (1.00) HRH3
SCHEMBL453086 0.83 HRH3 (1.00) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
WO-2012037258-A1 PROCESSES FOR PREPARING 1,2-SUBSTITUTED CYCLOPROPYL DERIVATIVES ABBOTT LABORATORIES (US) 2012-03-22 WO disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 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 (1 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-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 HRH3 1/4885SIGMAR1 142/4885

“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.