SCHEMBL418951

SCHEMBL418951

CC(=O)N1CC(O)CC1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
PIK3CD O00329 4/20 0.41
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
DPP4 P27487 6/20 0.37
DPP8 Q6V1X1 6/20 0.37
DPP9 Q86TI2 6/20 0.37
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
FAP Q12884 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL16751022 1.00 ATM (0.59) ATMPIK3CDMMP2ANPEPDPP4
SCHEMBL1923005 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL3673559 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL17760540 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL4531927 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL25286686 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL746205 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL744198 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL5795993 0.82 ATM (0.48) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL17511120 0.80 ATM (0.42) ATMPIK3CDDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006037-A1 HETEROCYCLIC COMPOUND Fimecs, Inc. (JP) 2022-06-01 EP disclosed
EP-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 EP disclosed
EP-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 EP disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
WO-2012037044-A2 PROLYL ENDOPEPTIDASE PROBES SRI INTERNATIONAL (US) 2012-03-22 WO disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 US disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 US disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 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 (3 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-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 ATM 4193/4885PIK3CD 2901/4885MMP2 4526/4885
US-20120065103-A1 Prolyl Endopeptidase Probes PREP, XPNPEP1, ANPEP ATM 4306/4885PIK3CD 4414/4885MMP2 104/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ATM 540/4885PIK3CD 559/4885MMP2 3775/4885

“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.