SCHEMBL10123280

SCHEMBL10123280

O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.76
HRH3 Q9Y5N1 10/20 0.71
PREP P48147 5/20 0.67

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
SCHEMBL870758 1.00 SIGMAR1 (0.76) SIGMAR1HRH3PREP
SCHEMBL15314413 0.87 SIGMAR1 (0.73) SIGMAR1HRH3PREP
SCHEMBL15314418 0.87 SIGMAR1 (0.73) SIGMAR1HRH3PREP
SCHEMBL4872095 0.85 SIGMAR1 (1.00) SIGMAR1HRH3PREP
SCHEMBL4872086 0.85 SIGMAR1 (1.00) SIGMAR1HRH3PREP
SCHEMBL12883193 0.85 HRH3 (0.72) SIGMAR1HRH3PREP
SCHEMBL12836573 0.85 HRH3 (0.72) SIGMAR1HRH3PREP
SCHEMBL11084414 0.85 SIGMAR1 (0.67) SIGMAR1HRH3PREP
SCHEMBL10123281 0.85 SIGMAR1 (0.71) SIGMAR1HRH3
SCHEMBL871055 0.85 SIGMAR1 (0.71) SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
WO-2010094029-A2 ASYMMETRIC CYCLOPROPANATION WITH SUCCINIMIDYL DIAZOACETATE UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-19 WO 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-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate SI, STOM, SUCLA2 SIGMAR1 4290/4885HRH3 2036/4885PREP 106/4885

“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.