SCHEMBL6714974

SCHEMBL6714974

COc1ccc(N)cc1C1CCN(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
HTR2A P28223 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC18A3 Q16572 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CCR4 P51679 1/20 0.41
NR4A1 P22736 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MAP3K12 Q12852 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL6924205 0.94 ABCB1 (0.43) ABCB1SIGMAR1KDM4EALDH1A1LMNA
SCHEMBL328237 0.89 HTR1D (0.49) CHRM4CHRM1HTR1DHTR1BCHRM2
SCHEMBL11819421 0.84 HTR2A (0.53) HTR2AKDM4EALDH1A1LMNAMAPT
SCHEMBL7029357 0.82 QDPR (0.52) HTR2AKDM4EALDH1A1LMNAMAPT
SCHEMBL1266524 0.82 PTGDR2 (0.49) ABCB1SIGMAR1SLC18A3MAPTMEN1
SCHEMBL12896953 0.82 CHRM4 (0.53) ABCB1SIGMAR1SLC18A3KDM4ECCR4
SCHEMBL12897047 0.82 CHRM4 (0.53) ABCB1SIGMAR1SLC18A3KDM4ECCR4
SCHEMBL12896972 0.82 PTGDR2 (0.49) ABCB1SIGMAR1SLC18A3MAPTMEN1
SCHEMBL7938441 0.82 KDM4E (0.46) HTR2AKDM4EALDH1A1LMNAMAPT
SCHEMBL7880812 0.80 HTR2A (0.47) HTR2AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 EP claimed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 WO claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
WO-2004010943-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 ABCB1 217/4885HTR2A 1013/4885SIGMAR1 1674/4885

“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.