SCHEMBL116141

SCHEMBL116141

C[C@@H]1C[C@@H](C=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19557223 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL12660832 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL116548 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL1914221 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL1914633 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL26791171 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL10144798 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL20005982 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL8004785 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL15317038 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof CIT THERAPEUTICS, INC. (US) 2026-04-28 US disclosed
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF CIT THERAPEUTICS LLC 2024-10-31 US disclosed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP disclosed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 WO disclosed
WO-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed
US-9382258-B2 Agents for treating pain and uses thereof ABBVIE INC. (US) 2016-07-05 US disclosed
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. 2015-08-13 US disclosed
US-9029361-B2 Agents for treating pain and uses thereof ABBVIE INC. (US) 2015-05-12 US disclosed
US-20140171423-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. (US) 2014-06-19 US disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-20120309811-A1 P-GLYCOPROTEIN-SPECIFIC NON-COMPETITIVE PEPTIDE AND PEPTIDOMIMETIC MODULATORS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2012-12-06 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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 (8 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-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF SUMO1, SUMO3, SUMO2 NR1H2 3556/4885CHRM2 3910/4885CHRM1 2607/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 NR1H2 39/4885CHRM2 211/4885CHRM1 114/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 NR1H2 39/4885CHRM2 211/4885CHRM1 114/4885
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof SUMO1, SUMO3, PSMB6 NR1H2 2552/4885CHRM2 3237/4885CHRM1 2156/4885
US-20140171423-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA NR1H2 2396/4885CHRM2 2914/4885CHRM1 2915/4885
US-20120309811-A1 P-GLYCOPROTEIN-SPECIFIC NON-COMPETITIVE PEPTIDE AND PEPTIDOMIMETIC MODULATORS ABCB1, ABCG2, SELPLG NR1H2 1768/4885CHRM2 4700/4885CHRM1 4319/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 NR1H2 971/4885CHRM2 915/4885CHRM1 508/4885
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA NR1H2 2396/4885CHRM2 2914/4885CHRM1 2915/4885

“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.