Sugi Predict

Sugi Predict / Compounds / SCHEMBL734489

SCHEMBL734489

SCHEMBL734489

COC(=O)C(CCN1CCC2(CC2)[C@H](O)C1)N1CCN(c2cccc(OC(F)(F)F)c2)C(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CHRM4 P08173 5/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ ACACB O00763 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL734490 1.00 LIPE (0.36) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL736398 0.93 LIPE (0.39) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL736399 0.93 LIPE (0.39) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL736377 0.90 PIM1 (0.36) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL736378 0.90 PIM1 (0.36) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL733678 0.90 HSD17B10 (0.38) DRD3MAPTHSD17B10
SCHEMBL733679 0.90 HSD17B10 (0.38) DRD3MAPTHSD17B10
SCHEMBL735696 0.88 LIPE (0.38) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL735697 0.88 LIPE (0.38) LIPEMETAP2CHRM2CHRM1NOTUM
SCHEMBL734800 0.85 CHRM4 (0.39) LIPEMETAP2CHRM2CHRM1NOTUM

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 LIPE 4795/4885METAP2 3673/4885CHRM2 65/4885

“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.