SCHEMBL5344402

SCHEMBL5344402

c1ccc(OC2CCCC2)c(OC2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
HTR1A P08908 4/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 4/20 0.47
HRH1 P35367 2/20 0.47
CARM1 Q86X55 2/20 0.46
PRMT1 Q99873 2/20 0.46
PDE5A O76074 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SLC6A4 P31645 3/20 0.44
CSNK2A1 P68400 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41

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
SCHEMBL2242864 0.97 MCHR1 (0.51) MCHR1HTR1ASLC6A2SLC6A3HRH1
SCHEMBL28418035 0.89 HTR1A (0.50) MCHR1HTR1ASLC6A2SLC6A3HRH1
SCHEMBL5084709 0.89 CA12 (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL24806043 0.87 PDE4A (0.53) CARM1PRMT1PDE4APDE4BPDE4C
SCHEMBL19829484 0.86 HRH1 (0.55) MCHR1HTR1ASLC6A2SLC6A3HRH1
SCHEMBL873580 0.84 CA1 (0.45) MCHR1SLC6A2SLC6A3HRH1CARM1
SCHEMBL8814130 0.84 MCHR1 (0.42) MCHR1HTR1ASLC6A2SLC6A3HRH1
SCHEMBL22426645 0.84 MCHR1 (0.42) MCHR1HTR1ASLC6A2SLC6A3HRH1
SCHEMBL7701922 0.84 SLC6A2 (0.49) SLC6A2SLC6A3CARM1PRMT1PDE4A
SCHEMBL1926850 0.84 KMT2A (0.44) MCHR1HTR1ASLC6A2SLC6A3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169808-B2 Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-01-30 US disclosed
US-20030195257-A1 Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNTE S.P.A. (IT) 2003-10-16 US disclosed
EP-1292563-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF MEDICAMENTS WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2003-03-19 EP disclosed
WO-2002000593-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF MEDICAMENTS WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-01-03 WO disclosed
WO-2002000609-A2 2,6,7-SUBSTITUTED TETRALINES USEFUL FOR THE PREPARATION OF MEDICAMENTS WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-01-03 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-20030195257-A1 Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity PDE3A, PDE5A, PDE3B MCHR1 4434/4885HTR1A 2366/4885SLC6A2 2380/4885

“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.