SCHEMBL19634497

SCHEMBL19634497

CCCCCCCOCCN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 9/20 0.54
GNAI3 P08754 8/20 0.54
GNAI1 P63096 8/20 0.54
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
CXCR4 P61073 2/20 0.46
LTA4H P09960 1/20 0.45
SOD3 P08294 2/20 0.43
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL20332759 1.00 GNAO1 (0.54) GNAO1GNAI3GNAI1HRH2HRH1
SCHEMBL23471205 1.00 GNAO1 (0.54) GNAO1GNAI3GNAI1HRH2HRH1
Bromide SCHEMBL8520315 0.98 GNAO1 (0.53) GNAO1GNAI3GNAI1HRH2HRH1
SCHEMBL19634573 0.98 GNAO1 (0.51) GNAO1GNAI3GNAI1HRH2HRH1
Iodide SCHEMBL8913893 0.95 GNAO1 (0.57) GNAO1GNAI3GNAI1HRH2HRH1
Iodide SCHEMBL8912480 0.95 GNAO1 (0.53) GNAO1GNAI3GNAI1HRH2HRH1
SCHEMBL26940881 0.93 GNAO1 (0.50) GNAO1GNAI3GNAI1HRH2HRH1
SCHEMBL8026348 0.93 GNAO1 (0.49) GNAO1GNAI3GNAI1HRH2HRH1
SCHEMBL21348725 0.91 GNAO1 (0.47) GNAO1GNAI3GNAI1HRH2HRH1
SCHEMBL7043670 0.87 HRH2 (0.50) GNAO1GNAI3GNAI1HRH2HRH1

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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 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 (2 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R GNAO1 1401/4885GNAI3 112/4885GNAI1 262/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R GNAO1 1401/4885GNAI3 112/4885GNAI1 262/4885

“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.