SCHEMBL12457553

SCHEMBL12457553

Cc1cnc(N2CC(O)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
GPR119 Q8TDV5 2/20 0.38
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 2/20 0.35
SLC6A9 P48067 5/20 0.34
DHFR P00374 1/20 0.34
OGA O60502 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SMO Q99835 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
APLNR P35414 1/20 0.32

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
SCHEMBL19145301 0.82 HDAC6 (0.50) GPR119AOC3HDAC6
SCHEMBL17972943 0.81 TSHR (0.39) ACACBGPR119KCNH2AOC3SLC6A9
SCHEMBL17057373 0.81 AOC3 (0.35) ACACBAOC3HDAC6
SCHEMBL16472351 0.81 ACACB (0.39) ACACBGPR119KCNH2AOC3SLC6A9
SCHEMBL356595 0.80 GPR119 (0.49) GPR119KCNH2AOC3SLC6A9DHFR
SCHEMBL17973025 0.79 HRH3 (0.41) ACACBGPR119KCNH2AOC3SLC6A9
SCHEMBL13674841 0.79 ACACB (0.40) ACACBAOC3HDAC6
SCHEMBL15058900 0.79 AOC3 (0.38) ACACBAOC3OGAHDAC6
SCHEMBL17052956 0.79 ACACB (0.46) ACACBAOC3OGAHDAC6PDE10A
SCHEMBL19756416 0.79 ACACB (0.41) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385055-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-08-20 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20160222015-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-04 US disclosed
US-20160222015-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-04 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
WO-2012125746-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2012-09-20 WO disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 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 (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-10385055-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B ACACB 1128/4885GPR119 4549/4885KCNH2 4033/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACACB 1128/4885GPR119 4549/4885KCNH2 4033/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACACB 1084/4885GPR119 4529/4885KCNH2 3983/4885
US-20160222015-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACACB 1128/4885GPR119 4549/4885KCNH2 4033/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACACB 1128/4885GPR119 4549/4885KCNH2 4033/4885

“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.