SCHEMBL350620

SCHEMBL350620

COC(=O)C1CCN(Cc2ccccc2)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
MCHR1 Q99705 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
FKBP1A P62942 1/20 0.46

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
SCHEMBL184071 0.87 MEN1 (0.56) SIGMAR1BCHEACHE
SCHEMBL13951338 0.87 ACHE (0.47) SIGMAR1MCHR1BCHEACHE
SCHEMBL8126942 0.86 CHRM2 (0.47) SIGMAR1MCHR1FKBP1A
Hydrochloric Acid SCHEMBL184070 0.86 MEN1 (0.55) SIGMAR1
SCHEMBL350213 0.86 FKBP1A (0.47) SIGMAR1BCHEACHEFKBP1A
SCHEMBL3709844 0.85 KMT2A (0.50) SIGMAR1BCHEACHE
Hydrochloric Acid SCHEMBL17611756 0.85 FKBP1A (0.47) SIGMAR1BCHEACHEFKBP1A
SCHEMBL15836211 0.85 CYP2D6 (0.47) SIGMAR1MCHR1ACHE
Hydrochloric Acid SCHEMBL5974110 0.83 ACHE (0.49) SIGMAR1BCHEACHE
Hydrochloric Acid SCHEMBL5974104 0.83 ACHE (0.49) SIGMAR1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613532-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-03-28 US disclosed
EP-4126875-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS Nuevolution A/S (DK) 2023-02-08 EP disclosed
US-20220098182-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2022-03-31 US disclosed
US-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 US disclosed
US-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 US disclosed
WO-2021198956-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed
WO-2021198956-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed
CN-113056455-A Isoxazole carboxamide compounds and uses thereof 诺华股份有限公司 2021-06-29 CN disclosed
CN-103896826-B The method of asymmetric synthesis of (3R, 4R)-3-methylamino-4-methyl piperidine of nitrogen protection, relevant intermediate and method for preparing raw material 上海朴颐化学科技有限公司 2016-08-03 CN disclosed
CN-103896826-A Asymmetric synthesis method of nitrogen protected (3R,4R)-3-methylamino-4-methylpiperidine, and relevant intermediate and raw material preparation method SHANGHAI PUYI CHEMICAL CO LTD 2014-07-02 CN disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
WO-2009026241-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-26 WO disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 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-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, ALDH5A1, SLC8B1 SIGMAR1 2857/4885MCHR1 1817/4885BCHE 3178/4885
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP SIGMAR1 3278/4885MCHR1 4743/4885BCHE 1598/4885
US-20220098182-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SIGMAR1 200/4885MCHR1 2198/4885BCHE 3363/4885
US-11613532-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 SIGMAR1 200/4885MCHR1 2198/4885BCHE 3363/4885
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 GPBAR1, GPR119, GRK5 SIGMAR1 669/4885MCHR1 1129/4885BCHE 1055/4885

“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.