SCHEMBL18300585

SCHEMBL18300585

CC(C)(C)OC(=O)NCc1ccc(/C(N)=N\O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
KLKB1 P03952 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 2/20 0.39
NAMPT P43490 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 1/20 0.39
KDM4A O75164 1/20 0.39
GLS O94925 1/20 0.38
HPN P05981 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL18300586 1.00 GRM2 (0.47) GRM2EPHX2NR1H4KLKB1L3MBTL1
SCHEMBL16489287 1.00 GRM2 (0.47) GRM2EPHX2NR1H4KLKB1L3MBTL1
SCHEMBL15729641 0.88 GRM2 (0.53) GRM2EPHX2NR1H4L3MBTL1HDAC1
SCHEMBL16491963 0.85 GRM2 (0.48) GRM2EPHX2NR1H4KLKB1L3MBTL1
SCHEMBL1244785 0.85 NR1H4 (0.61) GRM2EPHX2NR1H4L3MBTL1HDAC1
SCHEMBL1169112 0.83 EPHX2 (0.49) GRM2EPHX2NR1H4L3MBTL1HDAC1
SCHEMBL23833048 0.81 EPHX2 (0.48) GRM2EPHX2NR1H4L3MBTL1HDAC1
SCHEMBL15729350 0.81 NR1H4 (0.54) GRM2EPHX2NR1H4L3MBTL1HDAC1
SCHEMBL24999627 0.81 GRM2 (0.49) GRM2EPHX2NR1H4L3MBTL1HDAC1
SCHEMBL29769069 0.81 GRM2 (0.49) GRM2EPHX2NR1H4L3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 WO 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 GRM2 4144/4885EPHX2 960/4885NR1H4 1692/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 GRM2 4144/4885EPHX2 960/4885NR1H4 1692/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 GRM2 4144/4885EPHX2 960/4885NR1H4 1692/4885

“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.