SCHEMBL736300

SCHEMBL736300

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HTR7 P34969 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL736301 1.00 POLB (0.48) POLBHTR7NPSR1ALDH1A1MAPT
SCHEMBL734310 0.86 POLB (0.53) POLBHTR7NPSR1ALDH1A1MAPT
SCHEMBL734347 0.83 HSD17B10 (0.52) POLBNPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL734346 0.83 HSD17B10 (0.52) POLBNPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL735781 0.83 HSD17B10 (0.52) POLBNPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL734555 0.82 LMNA (0.49) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL733294 0.80 HTR7 (0.40) POLBHTR7NPSR1ALDH1A1MAPT
SCHEMBL736569 0.79 TRPV1 (0.45) POLBHTR7NPSR1ALDH1A1MAPT
SCHEMBL736417 0.79 TRPV1 (0.45) POLBHTR7NPSR1ALDH1A1MAPT
SCHEMBL734372 0.78 HTR7 (0.50) POLBHTR7

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 4 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
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

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 4167/4885HTR7 408/4885NPSR1 166/4885

“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.