SCHEMBL29359245

SCHEMBL29359245

CN1CC[C@]23c4c5ccc(OCc6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.74
▸ OPRM1 P35372 7/20 0.74
▸ OPRK1 P41145 5/20 0.74
▸ MRGPRX2 Q96LB1 4/20 0.74
▸ ADRB1 P08588 1/20 0.74
▸ PDE4D Q08499 1/20 0.74
▸ PDE3A Q14432 1/20 0.74
▸ SLC22A1 O15245 1/20 0.66
▸ ADRA2A P08913 1/20 0.66
▸ ARRB1 P49407 1/20 0.66

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
SCHEMBL1278380 1.00 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL24880 1.00 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL678993 1.00 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL15249248 1.00 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL31058090 0.99 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Propionic Acid SCHEMBL28993771 0.95 OPRD1 (0.67) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL16866229 0.95 OPRM1 (0.66) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL23673341 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL31298539 0.91 OPRM1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL27557540 0.90 OPRD1 (0.67) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682872-B1 LIQUISOFT CAPSULES PATHEON SOFTGELS INC (US) 2024-01-03 — — EP claimed
EP-3064199-B1 ABUSE-DETERRENT TRANSDERMAL FORMULATIONS OF OPIATE AGONISTS AND AGONIST-ANTAGONISTS BUZZZ PHARMACEUTICALS LTD (IE) 2023-12-20 — — EP claimed
EP-3313407-B1 TREATMENT AND MANAGEMENT OF AUGMENTATION IN RESTLESS LEGS SYNDROME UNIV EAST CAROLINA (US) 2023-07-19 — — EP claimed
EP-3385252-B1 CANNABINOID RECEPTOR MODULATORS ARENA PHARM INC (US) 2022-09-21 — — EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 — — EP claimed
CN-118632835-A Tryptamine compositions and methods 赛本爱尔兰有限公司 2024-09-10 — — CN disclosed
CN-118234708-A Formulations of nudity alkali analogs and methods of use 赛本爱尔兰有限公司 2024-06-21 — — CN disclosed
CN-115666653-A Antibody-drug conjugates 斯皮雷亚有限公司 2023-01-31 — — CN disclosed
CN-111314876-B System and method for emission and continuous monitoring of analyte values 德克斯康公司 2022-12-30 — — CN disclosed
EP-1765303-B2 ORAL TABLET SAFEGUARDED AGAINST ABUSE GRUENENTHAL GMBH (DE) 2022-11-23 — — EP disclosed
US-20220023260-A1 Ready to Use Ketorolac Formulations RTU PHARMACEUTICALS, LLC 2022-01-27 — — US 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-20220023260-A1 Ready to Use Ketorolac Formulations KHK, VKORC1, PROKR1 OPRD1 116/4885OPRM1 207/4885OPRK1 14/4885

“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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