SCHEMBL736780

SCHEMBL736780

COC[C@H](CCN1C[C@@H](C)C[C@H](O)C1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.43
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL735296 0.87 LMNA (0.46) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL735297 0.87 LMNA (0.46) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL736296 0.83 HTR7 (0.42) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL736295 0.83 HTR7 (0.42) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL735893 0.83 POLB (0.44) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL735892 0.83 POLB (0.44) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL734310 0.83 POLB (0.53) HTR7POLBNPSR1L3MBTL1TSHR
SCHEMBL757204 0.79 HTR7 (0.45) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL1848331 0.79 HTR7 (0.45) HTR7POLBHTR1AHTR2AHTR2C
SCHEMBL1848329 0.79 HTR7 (0.45) HTR7POLBHTR1AHTR2AHTR2C

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 HTR7 408/4885POLB 4167/4885HTR1A 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.