SCHEMBL16650460

SCHEMBL16650460

CC(C)(C)OC(=O)N1CCC(C#N)(CCCCl)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.40
GPR119 Q8TDV5 7/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36

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
SCHEMBL31171534 0.92 CTSK (0.38) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL21325460 0.88 CYP4F2 (0.43) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL7682979 0.87 USP2 (0.40) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL15577439 0.86 CTSK (0.38) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL10529377 0.86 USP2 (0.44) USP2SMN1; SMN2CTSKMEN1KMT2A
SCHEMBL28709409 0.85 USP2 (0.43) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL2798365 0.85 USP2 (0.43) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL6968885 0.84 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1OPRD1
SCHEMBL21325459 0.83 USP2 (0.41) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL29222475 0.83 USP2 (0.41) USP2SMN1; SMN2CTSKGPR119MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057971-B1 1-(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS LILLY CO ELI (US) 2018-12-12 EP disclosed
EP-3057971-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS Eli Lilly and Company (US) 2016-08-24 EP disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
WO-2015057953-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2015-04-23 WO disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 US disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 US disclosed
WO-2015057953-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2015-04-23 WO disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 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-20150111846-A1 NOVEL UREA COMPOUNDS SLC14A1, SLC10A1, UTS2R USP2 191/4885SMN1; SMN2 2724/4885CTSK 2249/4885

“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.