Sugi Predict

Sugi Predict / Compounds / SCHEMBL736805

SCHEMBL736805

SCHEMBL736805

NC(=O)[C@H](CCN1CCC2(CC2)[C@H](O)C1)N1CCN(c2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.39
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ DRD4 P21917 4/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL736806 1.00 HTR1A (0.39) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL737154 0.93 HTR1A (0.40) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL737155 0.93 HTR1A (0.40) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL735214 0.90 HTR1A (0.40) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL735213 0.90 HTR1A (0.40) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL734548 0.89 RAB9A (0.42) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL736078 0.89 HTR1A (0.37) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL736077 0.89 HTR1A (0.37) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL734549 0.89 RAB9A (0.42) HTR1AADAMTS5HTR2AHTR7HTR6
SCHEMBL736029 0.88 ADAMTS5 (0.38) HTR1AADAMTS5HTR2AHTR7HTR6

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
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 — — EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 — — WO disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 — — WO disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 — — US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 — — US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 — — 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 (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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HTR1A 512/4885ADAMTS5 4707/4885HTR2A 1246/4885

“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.