SCHEMBL4109097

SCHEMBL4109097

N[C@@H]1C[C@@H](C(=O)O)CC[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.50
▸ PLG P00747 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ ABAT P80404 2/20 0.38
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36

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
SCHEMBL4428766 1.00 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL4428770 1.00 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL21029706 0.82 GABRR1 (0.31) GABRR1PLGPLATLMNA
SCHEMBL13631051 0.82 GABRR1 (0.31) GABRR1PLGPLATLMNA
SCHEMBL3581962 0.81 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL5260434 0.81 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL3953001 0.81 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL3953002 0.81 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL3581424 0.81 GABRR1 (0.50) GABRR1PLGPLATLMNAACE
SCHEMBL6567963 0.80 GABRR1 (0.48) GABRR1PLGPLATLMNAABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316889-B Preparation method of edoxaban intermediate 上海阳帆医药科技有限公司 2020-07-10 — — CN claimed
CN-106316889-B Preparation method of edoxaban intermediate 上海阳帆医药科技有限公司 2020-07-10 — — CN disclosed
CN-106316889-B Preparation method of edoxaban intermediate 上海阳帆医药科技有限公司 2020-07-10 — — CN disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 — — EP disclosed
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-23 — — US disclosed
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 — — EP 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-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TFPI, F2, SERPINC1 GABRR1 2669/4885PLG 29/4885PLAT 6/4885

“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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