SCHEMBL29664155

SCHEMBL29664155

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.47
CES1 P23141 6/20 0.47
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KEAP1 Q14145 1/20 0.38
ERN1 O75460 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20670577 1.00 CES2 (0.47) CES2CES1HDAC1HDAC6KEAP1
SCHEMBL20670887 0.83 KDM4E (0.47) HDAC1HDAC6SMN1; SMN2TSHRALOX5AP
SCHEMBL29467960 0.82 KDM4E (0.46) CES2CES1KEAP1SMN1; SMN2TSHR
SCHEMBL2060245 0.81 KEAP1 (0.53) CES2CES1HDAC1HDAC6KEAP1
SCHEMBL2308943 0.81 CES2 (0.48) CES2CES1HDAC1HDAC6KEAP1
SCHEMBL20670574 0.80 CYP3A4 (0.40) HDAC1HDAC6MAOBALOX5APFEN1
SCHEMBL4092168 0.80 DGAT1 (0.43) HDAC1HDAC6MAOBSMN1; SMN2TSHR
SCHEMBL10595723 0.80 GSK3B (0.36) CES2CES1HDAC1HDAC6KEAP1
SCHEMBL2719368 0.80 KEAP1 (0.36) CES2CES1KEAP1
SCHEMBL4605786 0.80 HDAC1 (0.36) HDAC1HDAC6MAOBSMN1; SMN2TSHR

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 CES2 2736/4885CES1 1363/4885HDAC1 992/4885
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 CES2 2633/4885CES1 1322/4885HDAC1 993/4885
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 CES2 2673/4885CES1 1320/4885HDAC1 983/4885

“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.