SCHEMBL4257563

SCHEMBL4257563

Cc1cc(F)ccc1CCl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
NR3C2 P08235 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MMP1 P03956 4/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAOB P27338 1/20 0.33
TRPC5 Q9UL62 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
SCHEMBL30849549 1.00 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2KDM4C
SCHEMBL6002267 0.86 MAPT (0.35) P2RX7NR3C2KDM4CKDM5AKDM5B
SCHEMBL11116185 0.82 SLC6A4 (0.39) P2RX7ACHEPTGS1PTGS2
SCHEMBL7901204 0.79 P2RX7 (0.41) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL28056457 0.78 IDO1 (0.40) IDO1AGXTCYP1A2SMN1; SMN2
SCHEMBL14533298 0.77 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2KDM4C
SCHEMBL13787148 0.77 IDO1 (0.41) P2RX7IDO1AGXTNR3C2KDM4C
SCHEMBL1371586 0.77 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL2476555 0.77 MAPK14 (0.40) P2RX7IDO1AGXTNR3C2KDM4C
SCHEMBL2475943 0.77 MPO (0.44) P2RX7IDO1AGXTNR3C2MMP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770214-B Heterocyclic P2X7 antagonists 布雷耶疗法有限公司 2024-03-29 CN disclosed
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US disclosed
EP-3854789-A1 MACROCYCLIC COMPOUNDS USEFUL AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B.V. (CW) 2021-07-28 EP disclosed
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
EP-3619200-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2020-03-11 EP disclosed
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
CN-110770214-A Heterocyclic P2X7 antagonists 阿克萨姆股份公司 2020-02-07 CN disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3398941-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2018-11-07 EP disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
CN-1805957-A Azetidine compounds ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed
EP-0034415-B1 1-(CYCLOHEXYL OR CYCLOHEXENYL)-4-ARYL-4-PIPERIDINECARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-05-30 EP disclosed
US-4369184-A ANTIHISTAMINES; HETEROCYCLIC NITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-18 US disclosed
EP-0034415-A1 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-08-26 EP 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 (5 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 P2RX7 2751/4885IDO1 2403/4885AGXT 1515/4885
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 P2RX7 4/4885IDO1 1048/4885AGXT 2029/4885
US-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 P2RX7 4/4885IDO1 1048/4885AGXT 2029/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 P2RX7 2751/4885IDO1 2403/4885AGXT 1515/4885
US-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 P2RX7 330/4885IDO1 268/4885AGXT 2780/4885

“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.