SCHEMBL6965456

SCHEMBL6965456

CC(C)(C#N)c1c(F)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 5/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GFER P55789 1/20 0.32
HTT P42858 1/20 0.32
MAT2A P31153 1/20 0.31
KCNH2 Q12809 1/20 0.31
PSMB8 P28062 3/20 0.31

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
SCHEMBL3865379 0.86 ACHE (0.32) L3MBTL1
SCHEMBL779328 0.86 PSMB8 (0.35) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL802985 0.78 GAA (0.41) ALDH1A1LMNATAAR1GAAMAPT
SCHEMBL25845039 0.78
SCHEMBL21632351 0.77 LMNA (0.43) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL30728872 0.75 TAAR1 (0.42) ALDH1A1LMNATAAR1GAAMAPT
SCHEMBL21718832 0.75 TAAR1 (0.38) ALDH1A1LMNATAAR1GAAMAPT
SCHEMBL8489151 0.75 GAA (0.40) LMNAKDM4ETAAR1GAAMAPT
SCHEMBL17972850 0.75 TAAR1 (0.42) ALDH1A1LMNATAAR1GAAMAPT
SCHEMBL21632376 0.74 KDM4E (0.40) ALDH1A1LMNAKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US 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
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
WO-2018202694-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2018-11-08 WO disclosed
EP-3398941-A1 HETEROCYCLIC P2X7 ANTAGONISTS AXXAM S.p.A. (IT) 2018-11-07 EP disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 ALDH1A1 1689/4885LMNA 2079/4885KDM4E 4268/4885
US-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 ALDH1A1 1689/4885LMNA 2079/4885KDM4E 4268/4885

“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.