SCHEMBL4586928

SCHEMBL4586928

C=CCN1C[C@H](C)N([C@H](c2cccc(OC)c2)c2ccccc2C(=O)N(CC)CC)C[C@H]1C

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.77
OPRM1 P35372 6/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2D6 P10635 2/20 0.77
LMNA P02545 1/20 0.77
BLM P54132 1/20 0.77
PMP22 Q01453 1/20 0.77
CYP1A2 P05177 1/20 0.77
MAPT P10636 1/20 0.77
OPRK1 P41145 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
NFKB1 P19838 1/20 0.77

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
SCHEMBL29967893 1.00 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4575803 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4576333 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL251703 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4575415 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6369045 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6934910 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4576116 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6557493 0.89 CYP1A2 (0.75) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4576182 0.89 CYP3A4 (0.76) OPRD1OPRM1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005079767-A2 MEANS FOR MODULATION OF THE EFFECTS OF OPIOID-LIKE SUBSTANCES Universitätsklinikum Münster (DE) 2005-09-01 WO claimed
EP-3513792-B9 MORPHINAN DERIVATIVES FOR THE TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASES NIPPON CHEMIPHAR CO (JP) 2024-07-10 EP disclosed
EP-3513792-B1 MORPHINAN DERIVATIVES FOR THE TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASES NIPPON CHEMIPHAR CO (JP) 2024-03-27 EP disclosed
EP-4299074-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF STRESS-RELATED DISORDERS TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2024-01-03 EP disclosed
US-20230141198-A1 PYRAZOLOMORPHINAN DERIVATIVE THE KITASATO INSTITUTE (JP) 2023-05-11 US disclosed
US-11643411-B2 Morphinan derivative NIPPON CHEMIPHAR CO., LTD. (JP) 2023-05-09 US disclosed
US-20230132191-A1 USE OF MORPHINAN DERIVATIVES FOR TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASE NIPPON CHEMIPHAR CO., LTD. (JP) 2023-04-27 US disclosed
US-20230054895-A1 METHODS FOR INDUCING BIOSTASIS IN A CELL, TISSUE OR ORGAN PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-23 US disclosed
US-20210371422-A1 MORPHINAN DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2021-12-02 US disclosed
EP-3272750-B1 MORPHINAN DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2021-11-03 EP disclosed
US-6444679-B1 NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; DELTA OPIOID LIGANDS OR OPIOID RECEPTORS PFIZER INC 2002-09-03 US disclosed
US-20020045755-A1 Novel methods of O-demethylation and N-deprotection COOP ANDREW (US) 2002-04-18 US disclosed
US-20020013321-A1 4,4-Biarylpiperidine derivatives PFIZER INC. 2002-01-31 US disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
US-6291675-B1 MIXING OPIOID COMPOUND AND HYDRIDE REAGENT SELECTED FROM THE GROUP CONSISTING OF LITHIUM TRI-SEC-BUTYLBOROHYDRIDE, LITHIUM TRISIAMYLBOROHYDRIDE AND LITHIUM TRIETHYLBOROHYDRIDE TO PRODUCE AN O-DEMETHYLATED OPIOID COMPOUND THE UNITED STATES AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-09-18 US disclosed
EP-1112255-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2001-07-04 EP disclosed
EP-1038872-A1 4-Phenyl-4-heteroarylpiperdine derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2000-09-27 EP disclosed
US-6103722-A CARDIOPROTECTIVE EFFECT; STIMULATION OF DELTA OPIOID RECEPTOR AGONISTS; ANTIISCHEMIC AGENTS; REDUCING MYOCARDIAL INFARCTION DAMAGE; 4A-(3-HYDROXYPHENYL)-1,2,3,4, 4A,5,12,12A-NAPHTHO(OR QUINOXALINO)(2,3-G)ISOQUINOLINES THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION INC. (US) 2000-08-15 US disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-2000014066-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2000-03-16 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 (7 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-20020045755-A1 Novel methods of O-demethylation and N-deprotection OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885MEN1 4835/4885
US-11643411-B2 Morphinan derivative OPRM1, OPRD1, HTR2B OPRD1 2/4885OPRM1 1/4885MEN1 2049/4885
US-20230141198-A1 PYRAZOLOMORPHINAN DERIVATIVE OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885MEN1 4871/4885
US-20210371422-A1 MORPHINAN DERIVATIVE OPRM1, HTR2B, HTR3D OPRD1 4/4885OPRM1 1/4885MEN1 1738/4885
US-20230132191-A1 USE OF MORPHINAN DERIVATIVES FOR TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASE OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885MEN1 3444/4885
US-20230054895-A1 METHODS FOR INDUCING BIOSTASIS IN A CELL, TISSUE OR ORGAN OPRL1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 6/4885MEN1 4386/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 OPRD1 50/4885OPRM1 166/4885MEN1 1506/4885

“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.