SCHEMBL20689711

SCHEMBL20689711

C[C@H](CCCCC[C@@H](C)NCCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 14/20 0.68
▸ OPRK1 P41145 1/20 0.66
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL20689709 1.00 SIGMAR1 (0.68) SIGMAR1OPRK1HTTSMN1; SMN2MEN1
SCHEMBL20689717 1.00 SIGMAR1 (0.68) SIGMAR1OPRK1HTTSMN1; SMN2MEN1
SCHEMBL19498803 0.89 OPRK1 (0.81) SIGMAR1OPRK1HTTSMN1; SMN2MEN1
SCHEMBL22547154 0.88 SIGMAR1 (0.62) SIGMAR1OPRK1HTTSMN1; SMN2MEN1
SCHEMBL28873445 0.85 SIGMAR1 (0.68) SIGMAR1OPRK1HTTSMN1; SMN2MEN1
SCHEMBL11133210 0.84 SIGMAR1 (0.68) SIGMAR1MEN1KMT2A
SCHEMBL11131206 0.82 SIGMAR1 (0.65) SIGMAR1OPRK1
SCHEMBL19498805 0.81 SIGMAR1 (0.74) SIGMAR1OPRK1
SCHEMBL9360922 0.81 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL18435350 0.81 SIGMAR1 (0.72) SIGMAR1OPRK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223826-A1 Glucose-6-Phosphate Dehydrogenase (G6PD)-Modulating Agents And Methods Of Treating G6PD Deficiency THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-16 — — US disclosed
WO-2019023264-A1 GLUCOSE-6-PHOSPHATE DEHYDROGENASE (G6PD)-MODULATING AGENTS AND METHODS OF TREATING G6PD DEFICIENCY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-01-31 — — 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-20200223826-A1 Glucose-6-Phosphate Dehydrogenase (G6PD)-Modulating Agents And Methods Of Treating G6PD Deficiency G6PD, DPYD, G6PC1 SIGMAR1 4859/4885OPRK1 3956/4885HTT 3147/4885

“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.

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