SCHEMBL6808914

SCHEMBL6808914

CCCN(C(=O)c1ccc(Br)c(C)c1)c1ccc(OC)c(N2CCN(C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.59
HTR1B P28222 6/20 0.59
HTR2A P28223 3/20 0.59
HTR1A P08908 5/20 0.42
ADRA1A P35348 2/20 0.42
DRD2 P14416 1/20 0.42
TMPRSS2 O15393 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 2/20 0.39
DRD4 P21917 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6817268 0.93 HTR1D (0.61) HTR1DHTR1BHTR2AHTR1AADRA1A
SCHEMBL6817232 0.85 HTR1D (0.67) HTR1DHTR1BHTR2AHTR1ADRD2
SCHEMBL7803371 0.75 HTR1D (1.00) HTR1DHTR1BHTR2AHTR1ATMPRSS2
SCHEMBL9299684 0.73 HTR1D (0.55) HTR1DHTR1BHTR2AHTR1ADRD2
SCHEMBL6812001 0.73 HTR1D (0.53) HTR1DHTR1BHTR2AHTR1ADRD2
SCHEMBL8985970 0.73 HTR1D (0.92) HTR1DHTR1BHTR2AHTR1ATMPRSS2
SCHEMBL6812630 0.73 HTR1D (0.48) HTR1DHTR1BHTR2AHTR1ADRD2
SCHEMBL8400880 0.71 HTR1D (0.79) HTR1DHTR1BHTR2AHTR1AMAPT
SCHEMBL9301655 0.70 HTR1D (0.55) HTR1DHTR1BHTR2AHTR1ATMPRSS2
SCHEMBL8302847 0.70 HTR1D (0.59) HTR1DHTR1BHTR2AHTR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132742-A1 Novel compounds BROMIDGE STEVEN MARK (GB) 2004-07-08 US claimed
US-20030144505-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2003-07-31 US claimed
US-20010051719-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2001-12-13 US claimed
EP-0946551-A2 N-PIPERAZIN-1-YLPHENYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027058-A2 N-PIPERAZIN-1-YLPHENYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
US-20040132742-A1 Novel compounds BROMIDGE STEVEN MARK (GB) 2004-07-08 US disclosed
US-20030144505-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
US-20010051719-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2001-12-13 US disclosed
EP-0946551-A2 N-PIPERAZIN-1-YLPHENYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027058-A2 N-PIPERAZIN-1-YLPHENYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-06-25 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 (3 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-20030144505-A1 Novel compounds HTR1F, HTR6, HTR3C HTR1D 5/4885HTR1B 9/4885HTR2A 35/4885
US-20040132742-A1 Novel compounds CNR2, CNR1, ATP6V1B2 HTR1D 146/4885HTR1B 91/4885HTR2A 77/4885
US-20010051719-A1 Novel compounds CNR2, CNR1, ATP6V1B2 HTR1D 284/4885HTR1B 157/4885HTR2A 100/4885

“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.