SCHEMBL417106

SCHEMBL417106

O=C(OC1CCNC1)N1CCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.48
KEAP1 Q14145 1/20 0.48
NOTUM Q6P988 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.45
PRMT5 O14744 3/20 0.44
WDR77 Q9BQA1 3/20 0.44
DPP8 Q6V1X1 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HSD11B1 P28845 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 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
SCHEMBL14393093 1.00 ABHD6 (0.48) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL416047 1.00 ABHD6 (0.48) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL22784496 0.92 NOTUM (0.50) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL22785136 0.89 NOTUM (0.53) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL30132306 0.85 NOTUM (0.57) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL28825998 0.82 KEAP1 (0.61) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL22784355 0.80 NOTUM (0.55) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL14143372 0.77 ABHD6 (0.48) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL13951292 0.77 CHRM4 (0.52) ABHD6KEAP1NOTUMMAPTMEN1
SCHEMBL417099 0.76 NOTUM (0.50) ABHD6KEAP1NOTUMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
EP-1878720-B1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMA (US) 2010-10-06 EP disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 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 (4 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ABHD6 3714/4885KEAP1 622/4885NOTUM 2135/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ABHD6 3714/4885KEAP1 622/4885NOTUM 2135/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ABHD6 3714/4885KEAP1 622/4885NOTUM 2135/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ABHD6 3715/4885KEAP1 1037/4885NOTUM 2186/4885

“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.