SCHEMBL735781

SCHEMBL735781

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
LMNA P02545 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 2/20 0.45
ALOX15 P16050 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL734346 1.00 HSD17B10 (0.52) HSD17B10LMNASMN1; SMN2POLBALDH1A1
SCHEMBL734347 1.00 HSD17B10 (0.52) HSD17B10LMNASMN1; SMN2POLBALDH1A1
SCHEMBL735359 0.89 NOTUM (0.41) HSD17B10LMNASMN1; SMN2
SCHEMBL735360 0.89 NOTUM (0.41) HSD17B10LMNASMN1; SMN2
SCHEMBL736074 0.88 LDHA (0.46) HSD17B10LMNASMN1; SMN2POLBTSHR
SCHEMBL736073 0.88 LDHA (0.46) HSD17B10LMNASMN1; SMN2POLBTSHR
SCHEMBL736396 0.88 POLB (0.53) HSD17B10LMNASMN1; SMN2POLBALDH1A1
SCHEMBL735608 0.88 POLB (0.53) HSD17B10LMNASMN1; SMN2POLBALDH1A1
SCHEMBL735607 0.88 POLB (0.53) HSD17B10LMNASMN1; SMN2POLBALDH1A1
SCHEMBL736417 0.87 TRPV1 (0.45) HSD17B10LMNASMN1; SMN2POLBALDH1A1

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.