SCHEMBL1257397

SCHEMBL1257397

Cc1cc(O)c2c3c1C[C@@H]1[C@@H]4CCC(=O)[C@H](O2)[C@]34CCN1C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.69
OPRM1 P35372 6/20 0.69
OPRK1 P41145 4/20 0.69
LMNA P02545 1/20 0.56
PDE4D Q08499 1/20 0.56
MRGPRX2 Q96LB1 1/20 0.56
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL3687986 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL1743520 0.90 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL1894961 0.88 OPRD1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12588957 0.84 OPRD1 (0.58) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12929716 0.84 OPRD1 (0.58) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL17280918 0.84 OPRD1 (0.58) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL4705017 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL30340025 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL29389298 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3178079 0.83 OPRD1 (0.60) OPRD1OPRM1OPRK1LMNAPDE4D

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 323 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151817-B1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF SCRIPPS RESEARCH INST (US) 2021-03-03 EP claimed
US-20200345722-A1 ABUSE-DETERRENT DRUG FORMULATIONS COLLEGIUM PHARMACEUTICAL INC (US) 2020-11-05 US claimed
US-20200345723-A1 ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS COLLEGIUM PHARMACEUTICAL INC (US) 2020-11-05 US claimed
US-20200093819-A1 ABUSE-DETERRENT DRUG FORMULATIONS COLLEGIUM PHARMACEUTICAL, INC. 2020-03-26 US claimed
US-20200093820-A1 ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS COLLEGIUM PHARMACEUTICAL, INC. (US) 2020-03-26 US claimed
US-20190029972-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-31 US claimed
EP-3326617-A1 ABUSE-DETERRENT DRUG FORMULATIONS Collegium Pharmaceutical, Inc. (US) 2018-05-30 EP claimed
US-20180028528-A1 ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS COLLEGIUM PHARMACEUTICAL, INC. 2018-02-01 US claimed
US-20180028529-A1 ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS COLLEGIUM PHARMACEUTICAL, INC. 2018-02-01 US claimed
US-9763879-B2 Oral film containing opiate enteric-release beads LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2017-09-19 US claimed
US-20040043990-A1 Method of treatment JACKSON KAREN (GB) 2004-03-04 US claimed
WO-2003103679-A1 USE OF DEVAZEPIDE IN COMBINATION WITH AN OPIOID ANALGESIC FOR POTENTIATING THE EFFECT OF THE ANALGESIC ML LABORATORIES PLC (GB) 2003-12-18 WO claimed
WO-2003086409-A1 THE USE OF DEVAZEPIDE AS ANALGESIC AGENT ML LABORATORIES PLC (GB) 2003-10-23 WO claimed
WO-2003080066-A1 USE OF DEVAZEPIDE FOR THE TREATMENT OF CONSTIPATION ML LABORATORIES PLC (GB) 2003-10-02 WO claimed
US-20030153592-A1 Method INNOVATA PLC (GB) 2003-08-14 US claimed
WO-2003061632-A1 METHOD OF TREATMENT OF A PATIENT REQUIRING ANALGESIA ML LABORATORIES PLC (GB) 2003-07-31 WO claimed
US-20030139396-A1 Constipation; administering devazepide ML LABORATORIES PLC (GB) 2003-07-24 US claimed
CN-1069544-C Thebaica giving-up vaccinum for man KUNMING BIOLOG TECH ENGINEERIN (CN) 2001-08-15 CN claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
CN-1196955-A Thebaica giving-up vaccinum for man KUNMING BIOLOG TECH ENGINEERIN (CN) 1998-10-28 CN claimed

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-20190029972-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF HAX1, CYP2F1, CYP4X1 OPRD1 910/4885OPRM1 237/4885OPRK1 1333/4885

“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.