SCHEMBL29664206

SCHEMBL29664206

CC(=O)c1cc(OC(F)(F)F)cc(F)c1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.34
ABL1 P00519 3/20 0.34
EPHX2 P34913 2/20 0.33
PIM1 P11309 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CFTR P13569 1/20 0.33
SCN8A Q9UQD0 3/20 0.32
SCN10A Q9Y5Y9 3/20 0.32
TGM2 P21980 1/20 0.32

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
SCHEMBL20670578 1.00 MAOB (0.35) MAOBMAOAABL1EPHX2PIM1
SCHEMBL29664110 0.81 ALDH1A1 (0.43) MAOBMAOANPC1RAB9AMAPT
SCHEMBL20670508 0.81 ALDH1A1 (0.43) MAOBMAOANPC1RAB9AMAPT
SCHEMBL28042104 0.78 ALOX5AP (0.39) PIM1NPC1RAB9AKDM4EMAPT
SCHEMBL30557826 0.77 MAOB (0.54) MAOBMAOAABL1EPHX2PIM1
SCHEMBL29786514 0.77 ABL1 (0.46) MAOBMAOAABL1EPHX2PIM1
SCHEMBL17766955 0.77 MAOB (0.54) MAOBMAOAABL1EPHX2PIM1
SCHEMBL17480164 0.77 ABL1 (0.46) MAOBMAOAABL1EPHX2PIM1
SCHEMBL30951611 0.75 PIM1 (0.43) ABL1EPHX2PIM1NPC1RAB9A
SCHEMBL13043978 0.75 PIM1 (0.43) ABL1EPHX2PIM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAOB 1634/4885MAOA 1402/4885ABL1 2584/4885
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 MAOB 1608/4885MAOA 1368/4885ABL1 2613/4885
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 MAOB 1592/4885MAOA 1367/4885ABL1 2599/4885

“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.