SCHEMBL6812413

SCHEMBL6812413

COc1ccc(N(C)C(=O)c2sccc2Br)cc1N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.46
HTR1B P28222 13/20 0.46
HTR2A P28223 6/20 0.46
HTR1A P08908 12/20 0.42
HTR6 P50406 7/20 0.42
HTR2C P28335 6/20 0.42
HTR7 P34969 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR1E P28566 1/20 0.42
HTR1F P30939 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2B P41595 1/20 0.42
HTR4 Q13639 1/20 0.42

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
SCHEMBL6812001 0.83 HTR1D (0.53) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6817232 0.81 HTR1D (0.67) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6812630 0.80 HTR1D (0.48) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6808890 0.77 KDM4E (0.52) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6812249 0.77 MCHR1 (0.61) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6808869 0.77 HTR1D (0.50) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6817253 0.76 HTR1A (0.53) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL7883944 0.75 POLB (0.55) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL6812074 0.72 HTR1A (0.45) HTR1DHTR1BHTR2AHTR1AHTR6
SCHEMBL9301655 0.71 HTR1D (0.55) HTR1DHTR1BHTR2AHTR1AHTR6

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 8 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

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.