SCHEMBL1936699

SCHEMBL1936699

COC1CCCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
DPP4 P27487 1/20 0.36
FKBP1A P62942 3/20 0.36
CNR1 P21554 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL2428695 0.94 DPP4 (0.39) DPP4CNR1RAB9A
SCHEMBL28209789 0.94 DPP4 (0.39) DPP4CNR1RAB9A
SCHEMBL23795131 0.85
SCHEMBL11478670 0.84 CHRM2 (0.42) GAAHPGDCHRM2CHRM4CHRM5
SCHEMBL11556836 0.82 CHRM2 (0.44) GAAHPGDCHRM2CHRM4CHRM5
SCHEMBL25187343 0.82 GAA (0.36) GAAHPGDDPP4FKBP1ACNR1
SCHEMBL11491026 0.82 TSHR (0.44) GAAHPGDFKBP1A
SCHEMBL2727733 0.79 HPGD (0.34) GAAHPGDFKBP1ACHRM2CHRM4
SCHEMBL28890612 0.79 HPGD (0.37) GAAHPGDFKBP1ARAB9A
SCHEMBL7110058 0.79 RAB9A (0.36) GAAHPGDDPP4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877390-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN Prelude Therapeutics, Incorporated (US) 2021-09-15 EP disclosed
CN-109988186-A Beta-lactamase inhibitor 维纳拓尔斯制药公司 2019-07-09 CN disclosed
CN-106687465-B β -lactamase inhibitor 维纳拓尔斯制药公司 2019-04-16 CN disclosed
CN-106687465-A Beta-lactamase inhibitors 维纳拓尔斯制药公司 2017-05-17 CN disclosed
CN-101896481-B Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2014-04-30 CN disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
CN-101896481-A Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2010-11-24 CN disclosed
CN-101801957-A Pyridone GPR 119 g protein-coupled receptor agonists BRISTOL MYERS SQUIBB CO 2010-08-11 CN disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1000029-A1 (+)-NORCISAPRIDE USEFUL FOR 5-HT3 AND 5-HT4 MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002496-A1 (+)-NORCISAPRIDE USEFUL FOR 5-HT3 AND 5-HT4 MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 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 (4 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-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR GAA 154/4885HPGD 429/4885DPP4 2219/4885
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 GAA 4035/4885HPGD 1000/4885DPP4 3606/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 GAA 445/4885HPGD 760/4885DPP4 227/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR GAA 494/4885HPGD 394/4885DPP4 1118/4885

“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.