SCHEMBL736396

SCHEMBL736396

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
HSD17B10 Q99714 3/20 0.52
LMNA P02545 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.49
TSHR P16473 4/20 0.48
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL735608 1.00 POLB (0.53) POLBHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL735607 1.00 POLB (0.53) POLBHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL735291 0.91 HSD17B10 (0.52) POLBHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL734774 0.90 HSD17B10 (0.50) POLBHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL734487 0.89 NOTUM (0.44) POLBHSD17B10LMNASMN1; SMN2
SCHEMBL734488 0.89 NOTUM (0.44) POLBHSD17B10LMNASMN1; SMN2
SCHEMBL733758 0.88 LDHA (0.46) TSHRMAPTHTTTP53
SCHEMBL733759 0.88 LDHA (0.46) TSHRMAPTHTTTP53
SCHEMBL734347 0.88 HSD17B10 (0.52) POLBHSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL735781 0.88 HSD17B10 (0.52) POLBHSD17B10LMNASMN1; SMN2ALDH1A1

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 4167/4885HSD17B10 3092/4885LMNA 3760/4885

“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.