SCHEMBL14820103

SCHEMBL14820103

CN1CC2CN(C(=O)OC(C)(C)C)C2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 1/20 0.37
HPGD P15428 1/20 0.36
PREP P48147 2/20 0.36
AR P10275 1/20 0.35
NR1H3 Q13133 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2410020 0.85 USP30 (0.42) NR1H2NR1H3
SCHEMBL4916393 0.85 USP30 (0.42) NR1H2NR1H3
SCHEMBL4916392 0.85 USP30 (0.42) NR1H2NR1H3
SCHEMBL14224497 0.83 HSD17B10 (0.45) NR1H2HPGDPREPNR1H3SMN1; SMN2
SCHEMBL14224498 0.83 HSD17B10 (0.45) NR1H2HPGDPREPNR1H3SMN1; SMN2
SCHEMBL254261 0.83 HSD17B10 (0.45) NR1H2HPGDPREPNR1H3SMN1; SMN2
SCHEMBL6787947 0.82 USP2 (0.41) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL14805847 0.81 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL3572552 0.80 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL3572550 0.80 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 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 (2 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NR1H2 701/4885CHRM2 1809/4885CHRM1 1284/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NR1H2 701/4885CHRM2 1809/4885CHRM1 1284/4885

“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.