Sugi Predict

Sugi Predict / Compounds / SCHEMBL734548

SCHEMBL734548

SCHEMBL734548

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTR1A P08908 2/20 0.37
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ DRD3 P35462 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PANK3 Q9H999 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
SCHEMBL734549 1.00 RAB9A (0.42) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL13495289 0.92 MAPT (0.40) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL737155 0.91 HTR1A (0.40) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL737154 0.91 HTR1A (0.40) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL735301 0.90 USP2 (0.41) MAPTHTR1ADRD4MEN1KMT2A
SCHEMBL735300 0.90 USP2 (0.41) MAPTHTR1ADRD4MEN1KMT2A
SCHEMBL736806 0.89 HTR1A (0.39) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL736805 0.89 HTR1A (0.39) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL736078 0.89 HTR1A (0.37) RAB9AMAPTSMN1; SMN2HTTMAPK1
SCHEMBL736077 0.89 HTR1A (0.37) RAB9AMAPTSMN1; SMN2HTTMAPK1

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
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
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 RAB9A 762/4885MAPT 4751/4885SMN1; SMN2 4455/4885

“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.