SCHEMBL6816374

SCHEMBL6816374

CCN(CC)C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PTBP1 P26599 1/20 0.35
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
POLB P06746 3/20 0.34
BCHE P06276 1/20 0.34
ATM Q13315 1/20 0.34
TSPO P30536 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL9017110 0.92 P2RX4 (0.34) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL9017112 0.92 P2RX4 (0.34) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL8464960 0.92 KMT2A (0.39) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL9017132 0.92 P2RX4 (0.35) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL8464962 0.92 KMT2A (0.39) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL9017053 0.90 P2RX1 (0.39) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL9017057 0.86 KMT2A (0.36) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL9017056 0.86 KMT2A (0.36) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL8464656 0.85 P2RX4 (0.48) P2RX4PDE4APDE4BPDE4CPDE4D
SCHEMBL8464658 0.85 P2RX4 (0.48) P2RX4PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 EP claimed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP claimed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 EP claimed
EP-1000048-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-27 EP claimed
US-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 US claimed
US-6313118-B1 HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS ASTRA AKTIEBOLAG (SE) 2001-11-06 US claimed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US claimed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US claimed
US-6159971-A Combination of a 5-HT reuptake inhibitor and a h5-HT1B anatagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US claimed
EP-0714602-B1 Sulphonylaminophenyluracil herbicides for paddy field BAYER AGROCHEM KK (JP) 1999-05-12 EP claimed
US-5641725-A Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US claimed
EP-0714602-A1 Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1996-06-05 EP claimed
EP-1258193-B1 Herbicidal compositions of tetrazolinone herbicides and antidotes therefor SYNGENTA LTD (GB) 2004-11-17 EP disclosed
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 EP disclosed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 EP disclosed
EP-0714602-A1 Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1996-06-05 EP disclosed
US-5466660-A Tetrazolinones as herbicides for use in paddy NIHON BAYER AGROCHEM K.K. (JP) 1995-11-14 US disclosed
US-5347010-A Tetrzolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 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 (1 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-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic HTR1D, HTR1F, HTR2C P2RX4 612/4885PDE4A 4473/4885PDE4B 4330/4885

“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.