SCHEMBL29664374

SCHEMBL29664374

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CES2 O00748 2/20 0.38
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38
P2RX7 Q99572 1/20 0.37
APP P05067 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPT P10636 1/20 0.35
KIF11 P52732 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDE2A O00408 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL20670582 1.00 P2RX1 (0.39) P2RX1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30034276 0.84 KDM4E (0.51) P2RX1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29656849 0.82 CES2 (0.44) P2RX1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23301033 0.82 CES2 (0.44) P2RX1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23531666 0.82 PDE2A (0.34) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL30033527 0.81 CFTR (0.56) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL20670887 0.77 KDM4E (0.47) ALDH1A1KDM4EHDAC1HDAC6
SCHEMBL20670577 0.77 CES2 (0.47) CES2HDAC1HDAC6
SCHEMBL29664155 0.77 CES2 (0.47) CES2HDAC1HDAC6
SCHEMBL3323506 0.76 TSHR (0.41) ALDH1A1CES2KIF11HDAC1HDAC6

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 P2RX1 294/4885ALDH1A1 2192/4885KDM4E 1625/4885
US-20240343719-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 P2RX1 306/4885ALDH1A1 2154/4885KDM4E 1649/4885
US-11897873-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 P2RX1 296/4885ALDH1A1 2159/4885KDM4E 1647/4885

“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.