Sugi Predict

Sugi Predict / Compounds / SCHEMBL29610294

SCHEMBL29610294

SCHEMBL29610294

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.54
▸ OPRD1 P41143 3/20 0.53
▸ OPRK1 P41145 3/20 0.53
▸ F2 P00734 1/20 0.51
▸ NPFFR1 Q9GZQ6 2/20 0.50
▸ NPFFR2 Q9Y5X5 2/20 0.50

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
SCHEMBL30739327 0.97 OPRM1 (0.52) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL30739385 0.95 OPRM1 (0.54) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL2778544 0.93 F2 (0.57) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL2119635 0.93 F2 (0.57) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL6497247 0.93 F2 (0.57) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL6850160 0.93 F2 (0.57) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL2778546 0.93 F2 (0.57) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL24195743 0.92 OPRM1 (0.52) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL2183031 0.91 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL21068025 0.91 F2 (0.53) OPRM1OPRD1OPRK1F2NPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073587-B Synthesis process for synthesizing bivalirudin by semi-continuous liquid phase synthesis 厦门胜泽泰医药科技有限公司 2024-08-23 — — CN disclosed
US-20230340149-A1 METHODS OF TREATMENT OF INFLAMMATORY BOWEL DISEASES UNIVERSITE TOULOUSE III - PAUL SABATIER (FR) 2023-10-26 — — US disclosed
EP-4210722-A1 METHODS OF TREATMENT OF INFLAMMATORY BOWEL DISEASES Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2023-07-19 — — EP disclosed
US-11643439-B2 Multi-target compound with anticoagulation and antiplatelet activity, preparation method therefor, and use thereof SHAANXI MICOT TECHNOLOGY LIMITED COMPANY (CN) 2023-05-09 — — US disclosed
CN-113773369-B Multi-target compound with anticoagulant and antiplatelet activity, preparation method and application 陕西麦科奥特科技有限公司 2022-11-08 — — CN disclosed
CN-113201049-B Multi-target compound with anticoagulant and antiplatelet activity, preparation method and application 陕西麦科奥特科技有限公司 2022-10-04 — — CN disclosed
CN-113201048-B Multi-target compound with anticoagulant and antiplatelet activity, preparation method and application 陕西麦科奥特科技有限公司 2022-10-04 — — CN disclosed
CN-115073587-A Synthesis process of semicontinuous liquid phase synthesis bivalirudin 厦门胜泽泰医药科技有限公司 2022-09-20 — — CN disclosed
WO-2022049273-A1 METHODS OF TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-03-10 — — 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-20230340149-A1 METHODS OF TREATMENT OF INFLAMMATORY BOWEL DISEASES TFPI, SI, TFPI2 OPRM1 2977/4885OPRD1 3291/4885OPRK1 3902/4885

“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.