SCHEMBL6720051

SCHEMBL6720051

COc1ccccc1CSCCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
NPY1R P25929 1/20 0.46
NPY5R Q15761 1/20 0.46
CHRM2 P08172 13/20 0.45
CHRM4 P08173 5/20 0.45
CHRM5 P08912 5/20 0.45
CHRM1 P11229 5/20 0.45
CHRM3 P20309 5/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
RECQL P46063 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28403191 0.82 IDO1 (0.55) BCHEACHECHRM2CHRM1GRIN1
SCHEMBL6230640 0.79 IDO1 (0.46) BCHEACHENPY1RNPY5RCHRM2
SCHEMBL10952345 0.79 TAAR1 (0.59) CHRM2CHRM1CYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL11700201 0.78 TAAR1 (0.58) BCHEACHECHRM2CHRM4CHRM5
SCHEMBL79353 0.77 TAAR1 (0.60) CHRM2CHRM1CHRM3GRIN1GRIN2A
SCHEMBL30118964 0.77 TAAR1 (0.60) CHRM2CHRM1CHRM3GRIN1GRIN2A
SCHEMBL22838497 0.77 IDO1 (0.50) BCHEACHECHRM2CHRM1GRIN1
Biphenyl SCHEMBL8131643 0.75 ALDH1A1 (0.50) CHRM2CHRM1MEN1MAPTKMT2A
SCHEMBL1546039 0.75 TAAR1 (0.58) CHRM2CHRM1
SCHEMBL21102187 0.74 ALDH1A1 (0.44) BCHEACHECHRM2CHRM1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 BCHE 2129/4885ACHE 2043/4885NPY1R 2083/4885

“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.