Sugi Predict

Sugi Predict / Compounds / SCHEMBL736077

SCHEMBL736077

SCHEMBL736077

CN(C)C(=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 0.37
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ DRD4 P21917 4/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ HTR2A P28223 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
SCHEMBL736078 1.00 HTR1A (0.37) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL737191 0.92 NPY5R (0.36) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL737190 0.92 NPY5R (0.36) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL734831 0.91 HTR1A (0.35) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL734830 0.91 HTR1A (0.35) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL737155 0.91 HTR1A (0.40) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL737154 0.91 HTR1A (0.40) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL736806 0.89 HTR1A (0.39) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL736805 0.89 HTR1A (0.39) HTR1AADAMTS5DRD4DRD2DRD3
SCHEMBL734548 0.89 RAB9A (0.42) HTR1AADAMTS5DRD4DRD2DRD3

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-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
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 4707/4885DRD4 304/4885

“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.