SCHEMBL776259

SCHEMBL776259

O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.64
PRCP P42785 2/20 0.55
KCNH2 Q12809 2/20 0.55
CNR1 P21554 1/20 0.55
SIGMAR1 Q99720 2/20 0.52
AKR1C3 P42330 1/20 0.49
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.47

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 0.86 HRH3 (0.72) HRH3SIGMAR1
SCHEMBL10123281 0.85 SIGMAR1 (0.71) HRH3SIGMAR1
SCHEMBL871055 0.85 SIGMAR1 (0.71) HRH3SIGMAR1
SCHEMBL775581 0.85 HRH3 (0.71) HRH3SIGMAR1
SCHEMBL4397873 0.82 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL4397875 0.82 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL440566 0.78 HRH3 (1.00) HRH3
SCHEMBL453084 0.78 HRH3 (1.00) HRH3
SCHEMBL453086 0.78 HRH3 (1.00) HRH3
SCHEMBL453109 0.78 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
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
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

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 1/4885PRCP 685/4885KCNH2 1253/4885

“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.