Sugi Predict

Sugi Predict / Compounds / SCHEMBL799013

SCHEMBL799013

SCHEMBL799013

CN1CCC(NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ SMO Q99835 12/20 0.37
▸ POLB P06746 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ LTA4H P09960 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
SCHEMBL799022 0.87 AKT1 (0.39) SMODRD2HTR2ADRD3AKT1
SCHEMBL799377 0.87 AKT1 (0.39) SMODRD2HTR2ADRD3AKT1
SCHEMBL799561 0.87 AKT1 (0.39) SMODRD2HTR2ADRD3AKT1
SCHEMBL18559454 0.82 CA12 (0.39) CA12CA7CA14POLBHTR2A
SCHEMBL18123295 0.80 CA12 (0.37) CA12CA7CA14SMOAKT1
SCHEMBL13621192 0.80 CA1 (0.56) CA12CA7CA14POLBHTR2A
SCHEMBL14252363 0.80 SMO (0.39) CA12CA7CA14SMO
SCHEMBL13116899 0.80 CA12 (0.37) CA12CA7CA14SMOAKT1
SCHEMBL15836240 0.80 CA12 (0.58) CA12CA7CA14
SCHEMBL48337 0.80 — —

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-04-14 — — US disclosed
EP-3581576-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS FOR USE IN THE TREATMENT OF A PROLIFERATIVE DISEASE IN COMBINATION WITH A JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2022-01-26 — — EP disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 — — US disclosed
EP-3271352-B1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2021-05-12 — — EP disclosed
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 — — EP disclosed
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 — — US disclosed
WO-2020154683-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-07-30 — — WO disclosed
CN-111107903-A Novel sulfonamide carboxamide compounds 英夫拉索姆有限公司 2020-05-05 — — CN disclosed
EP-3221306-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-11-13 — — EP disclosed
EP-3277682-B1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO CO LTD (JP) 2019-04-24 — — EP disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 — — WO disclosed
US-20100099662-A1 HYDRAZONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-22 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 — — US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 — — US disclosed
US-7488726-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS PHARMA, LLC (US) 2009-02-10 — — US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 — — US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 — — EP disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 — — US disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 — — 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 (7 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 CA12 4652/4885CA7 4035/4885CA14 4634/4885
US-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 CA12 3532/4885CA7 1412/4885CA14 2891/4885
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS MGLL, LIPA, PNLIP CA12 3002/4885CA7 2978/4885CA14 3072/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R CA12 2891/4885CA7 3289/4885CA14 1252/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 CA12 4006/4885CA7 3521/4885CA14 4146/4885
US-20100099662-A1 HYDRAZONE DERIVATIVE GCK, GCKR, HK1 CA12 2022/4885CA7 559/4885CA14 2191/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 CA12 2144/4885CA7 1819/4885CA14 2213/4885

“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.