SCHEMBL734773

SCHEMBL734773

COC(=O)[C@@H](CCOCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
LMNA P02545 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 4/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RECQL P46063 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL734349 1.00 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2POLBMAPT
SCHEMBL734350 1.00 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2POLBMAPT
SCHEMBL734612 0.91 MAPT (0.47) LMNASMN1; SMN2POLBMAPTKMT2A
SCHEMBL734611 0.91 MAPT (0.47) LMNASMN1; SMN2POLBMAPTKMT2A
SCHEMBL735443 0.90 CHRM4 (0.46) LMNAALDH1A1
SCHEMBL735444 0.90 CHRM4 (0.46) LMNAALDH1A1
SCHEMBL734794 0.88 GRM5 (0.52) LMNASMN1; SMN2POLBMAPTKMT2A
SCHEMBL734793 0.88 GRM5 (0.52) LMNASMN1; SMN2POLBMAPTKMT2A
SCHEMBL735608 0.86 POLB (0.53) HSD17B10LMNASMN1; SMN2POLBMAPT
SCHEMBL736396 0.86 POLB (0.53) HSD17B10LMNASMN1; SMN2POLBMAPT

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 HSD17B10 3092/4885LMNA 3760/4885SMN1; 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.