Sugi Predict

Sugi Predict / Compounds / SCHEMBL735302

SCHEMBL735302

SCHEMBL735302

COC(=O)[C@H](CCN1CCC2(CC2)[C@H](O)C1)N1CCN(c2ccccc2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HTR1A P08908 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ KCNA3 P22001 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
SCHEMBL735303 1.00 POLB (0.39) POLBGFERHTR1AALDH1A1CYP1A2
SCHEMBL735300 0.91 USP2 (0.41) HTR1AALDH1A1CYP1A2KMT2AMEN1
SCHEMBL735301 0.91 USP2 (0.41) HTR1AALDH1A1CYP1A2KMT2AMEN1
SCHEMBL734776 0.89 LDHA (0.41) HTR1ADRD4TP53HTR7
SCHEMBL734775 0.89 LDHA (0.41) HTR1ADRD4TP53HTR7
SCHEMBL733498 0.88 HSD17B10 (0.44) POLBHTR1AALDH1A1HTR2AMAPT
SCHEMBL733496 0.88 HSD17B10 (0.44) POLBHTR1AALDH1A1HTR2AMAPT
SCHEMBL733497 0.88 HSD17B10 (0.44) POLBHTR1AALDH1A1HTR2AMAPT
SCHEMBL733505 0.88 HSD17B10 (0.44) POLBHTR1AALDH1A1HTR2AMAPT
SCHEMBL734801 0.88 CHRM4 (0.39) —

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 POLB 4167/4885GFER 4102/4885HTR1A 512/4885

“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.