SCHEMBL757204

SCHEMBL757204

COCC(CCCN1CCC2(CC2)[C@H](O)C1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.45
POLB P06746 1/20 0.43
HTR2A P28223 2/20 0.41
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL1848329 1.00 HTR7 (0.45) HTR7POLBHTR2ADRD2HTR2C
SCHEMBL1848331 1.00 HTR7 (0.45) HTR7POLBHTR2ADRD2HTR2C
SCHEMBL735893 0.95 POLB (0.44) HTR7POLBHTR2AHTR2CHTR1A
SCHEMBL735892 0.95 POLB (0.44) HTR7POLBHTR2AHTR2CHTR1A
SCHEMBL736360 0.91 HTR7 (0.48) HTR7HTR2ADRD2HTR1A
SCHEMBL736362 0.91 HTR7 (0.48) HTR7HTR2ADRD2HTR1A
SCHEMBL736361 0.91 HTR7 (0.48) HTR7HTR2ADRD2HTR1A
SCHEMBL734372 0.88 HTR7 (0.50) HTR7POLBHTR2ADRD2HTR1A
SCHEMBL734866 0.87 HTR7 (0.43) HTR7POLBHTR2ADRD2
SCHEMBL734865 0.87 HTR7 (0.43) HTR7POLBHTR2ADRD2

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 7 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
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

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 HTR7 408/4885POLB 4167/4885HTR2A 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.