SCHEMBL25218655

SCHEMBL25218655

CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 1.00
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPT P10636 3/20 0.49
HPGD P15428 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RAD52 P43351 3/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
STAT3 P40763 2/20 0.49
AHR P35869 1/20 0.49
RCE1 Q9Y256 1/20 0.49
MAPK1 P28482 1/20 0.47
STAT1 P42224 1/20 0.47
GFER P55789 1/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL4761800 1.00 P2RX3 (1.00) P2RX3KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4762047 0.81 P2RX3 (0.69) P2RX3KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4762472 0.81 P2RX3 (0.68) P2RX3HPGDLMNA
SCHEMBL4763232 0.77 P2RX3 (0.62) P2RX3
SCHEMBL4760984 0.76 P2RX3 (0.61) P2RX3KDM4EALDH1A1HSD17B10MAPT
SCHEMBL348602 0.72 KDM4E (1.00) P2RX3KDM4EALDH1A1HSD17B10MAPT
SCHEMBL5462933 0.70 P2RX3 (0.53) P2RX3KDM4EALDH1A1HSD17B10MAPT
SCHEMBL348972 0.69 KDM4E (0.53) P2RX3KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4791982 0.67 P2RX3 (0.50) P2RX3
SCHEMBL18282642 0.66 KDM4E (1.00) KDM4EALDH1A1HSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426280-B1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2026-03-18 EP disclosed
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2025-02-20 US disclosed
EP-4266137-B1 SYSTEM AND ADAPTIVE METHOD OF CANNING TUNA HERMASA CANNING TECH S A (ES) 2024-09-25 EP disclosed
EP-4426280-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Gurba, Alexandre (CH) 2024-09-11 EP disclosed
US-20230339637-A1 System and adaptive method of canning tuna HERMASA CANNING TECHNOLOGY, S.A. (ES) 2023-10-26 US disclosed
EP-4266137-A1 SYSTEM AND ADAPTIVE METHOD OF CANNING TUNA Hermasa Canning Technology S.A. (ES) 2023-10-25 EP disclosed
CN-110770209-B Novel 5-hydroxypyridine compounds useful as P2X1 and P2X3 receptor antagonists and pharmaceutical compositions containing the same 光州科学技术院 2023-06-30 CN disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 WO disclosed
EP-4197533-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Guerin, Patrick (CH) 2023-06-21 EP disclosed
CN-110062763-B Peptide modulators of purinergic receptors 未来镇痛药有限公司 2022-11-15 CN disclosed
US-11319289-B2 5-hydroxy pyridine-based compound for use as P2X1 and P2X3 receptor antagonist and pharmaceutical composition comprising same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-05-03 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 (2 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-11319289-B2 5-hydroxy pyridine-based compound for use as P2X1 and P2X3 receptor antagonist and pharmaceutical composition comprising same P2RX5, P2RX3, P2RX1 P2RX3 2/4885KDM4E 1863/4885ALDH1A1 1351/4885
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS P2RX2, P2RX3, P2RX1 P2RX3 2/4885KDM4E 4410/4885ALDH1A1 1673/4885

“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.