SCHEMBL7126444

SCHEMBL7126444

O=C1CC(NC2CCc3ccccc32)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
KDM1A O60341 1/20 0.51
PDPK1 O15530 1/20 0.50
SLC18A3 Q16572 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
BCHE P06276 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR6 P50406 1/20 0.43
NSD2 O96028 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
Hydrochloric Acid SCHEMBL7117163 0.98 MAOA (0.50) MAOAMAOBKDM1APDPK1SLC18A3
SCHEMBL2322457 0.82 PDPK1 (0.70) MAOAMAOBKDM1APDPK1SLC18A3
Hydrochloric Acid SCHEMBL7123292 0.80 PDPK1 (0.68) MAOAMAOBKDM1APDPK1SLC18A3
SCHEMBL7127619 0.80 P2RX7 (0.40) MAOAMAOBCA1CA2BCHE
Hydrochloric Acid SCHEMBL7120126 0.78 P2RX7 (0.39) CA1CA2BCHEACHEALDH1A1
SCHEMBL6863573 0.76 BCHE (0.53) BCHEACHEALDH1A1TP53CYP3A4
SCHEMBL15131188 0.75 PDPK1 (0.61) MAOAMAOBKDM1APDPK1SLC18A3
SCHEMBL3702992 0.75 BCHE (0.56) BCHEACHESMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6863833 0.75 BCHE (0.51) BCHEACHEALDH1A1TP53CYP3A4
SCHEMBL18988275 0.72 S100A4 (0.44) MAOBKDM4EMEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874800-B1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY VENANTIUS LTD (IE) 2003-08-06 EP claimed
US-6423752-B1 SUCH AS 3-(N-1-INDANYLAMINO)-INDAN-1-ONE 3-(N-1-INDANYLAMINO) INDAN-1-ONE FORMED BY REACTING AMINO-INDANE COMPOUND WITH BROMO-INDANONE COMPOUND IN PRESENCE OF TRIETHYLENEAMINE VENANTIUS LIMITED (IE) 2002-07-23 US claimed
US-20020052530-A1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY VENANTIUS LIMITED (IE) 2002-05-02 US claimed
EP-0874800-B1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY VENANTIUS LTD (IE) 2003-08-06 EP disclosed
US-6423752-B1 SUCH AS 3-(N-1-INDANYLAMINO)-INDAN-1-ONE 3-(N-1-INDANYLAMINO) INDAN-1-ONE FORMED BY REACTING AMINO-INDANE COMPOUND WITH BROMO-INDANONE COMPOUND IN PRESENCE OF TRIETHYLENEAMINE VENANTIUS LIMITED (IE) 2002-07-23 US disclosed
WO-1997020805-A1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY VENANTIUS LIMITED (IE) 1997-06-12 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 (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-20020052530-A1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY MYLK, HRH2, HRH1 MAOA 914/4885MAOB 1176/4885KDM1A 2119/4885

“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.