SCHEMBL755177

SCHEMBL755177

COCNC(=O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
BUB1 O43683 2/20 0.33
RECQL P46063 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
TSHR P16473 1/20 0.31
DGAT1 O75907 1/20 0.31
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7174226 0.84 CA14 (0.34) CA14HDAC6HDAC1HDAC2BUB1
SCHEMBL15285839 0.82 CTSD (0.39) CA14HDAC6HDAC1HDAC2BUB1
SCHEMBL752843 0.82 CA14 (0.40) CA14HDAC6HDAC1HDAC2RECQL
SCHEMBL2485879 0.81 CA14 (0.42) CA14HDAC6HDAC1HDAC2RECQL
SCHEMBL2486327 0.81 CA14 (0.42) CA14HDAC6HDAC1HDAC2RECQL
SCHEMBL23314765 0.80 RECQL (0.35) CA14HDAC6HDAC1HDAC2BUB1
SCHEMBL6815143 0.79 CA14 (0.32) CA14
SCHEMBL2486591 0.79 CA14 (0.46) CA14HDAC6HDAC1HDAC2RECQL
SCHEMBL754493 0.79 CA14 (0.32) CA14HDAC6TSHR
SCHEMBL5884651 0.78 MEN1 (0.52) CA14HDAC6HDAC1HDAC2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7410982-B2 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
EP-1567501-B1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20060058360-A1 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2006-03-16 US disclosed
US-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ELI LILLY AND COMPANY (US) 2006-01-19 US disclosed
EP-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
EP-1567501-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
WO-2004043931-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (5 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-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ADRB3, HTR3C, CHRNB3 CA14 3243/4885HDAC6 3230/4885HDAC1 2791/4885
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CA14 4756/4885HDAC6 2258/4885HDAC1 307/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885HDAC6 1915/4885HDAC1 367/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885HDAC6 1915/4885HDAC1 367/4885
US-20060058360-A1 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ADRB3, SLC6A2, SLC6A3 CA14 3949/4885HDAC6 1935/4885HDAC1 2568/4885

“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.