Pf-04455242

Pf-04455242

SCHEMBL29664276

CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 20/20 1.00
OPRM1 P35372 18/20 1.00
KCNH2 Q12809 1/20 1.00

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
Pf-04455242 SCHEMBL3212512 1.00 OPRK1 (1.00) OPRK1OPRM1KCNH2
Pf-04455242 SCHEMBL29484946 0.99 OPRK1 (0.98) OPRK1OPRM1KCNH2
SCHEMBL3213443 0.83 OPRK1 (0.77) OPRK1OPRM1KCNH2
SCHEMBL3219508 0.83 OPRK1 (0.77) OPRK1OPRM1KCNH2
SCHEMBL3219520 0.83 OPRK1 (0.77) OPRK1OPRM1KCNH2
SCHEMBL3212478 0.81 OPRK1 (0.68) OPRK1OPRM1KCNH2
SCHEMBL3219537 0.80 OPRK1 (1.00) OPRK1OPRM1KCNH2
SCHEMBL3204687 0.79 OPRK1 (1.00) OPRK1OPRM1KCNH2
SCHEMBL3214852 0.79 OPRK1 (0.79) OPRK1OPRM1KCNH2
SCHEMBL3225463 0.78 OPRK1 (1.00) OPRK1OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178082-A2 COMPOSITION OF OPIOID RECEPTOR MODULATOR AND MDMA FOR USE THEREOF FREEDOM BIOSCIENCES, INC. (US) 2024-08-29 WO claimed
EP-4574210-A2 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO The Scripps Research Institute (US) 2025-06-25 EP disclosed
EP-4141001-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2025-03-05 EP disclosed
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2024-10-17 US disclosed
WO-2024178082-A2 COMPOSITION OF OPIOID RECEPTOR MODULATOR AND MDMA FOR USE THEREOF FREEDOM BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
CN-110914262-B Kappa opioid receptor antagonists and products and methods relating thereto 斯克里普斯研究所 2024-04-05 CN disclosed
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2024-02-13 US disclosed
EP-4141001-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO The Scripps Research Institute (US) 2023-03-01 EP disclosed
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 EP disclosed
US-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2022-05-26 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 (3 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-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885KCNH2 553/4885
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885KCNH2 571/4885
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885KCNH2 559/4885

“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.