SCHEMBL5108931

SCHEMBL5108931

CC(C)(C)OC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 2/20 0.57
EPHX1 P07099 1/20 0.55
GPR119 Q8TDV5 2/20 0.55
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.52
USP30 Q70CQ3 3/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
STS P08842 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL12072637 0.93 USP30 (0.61) ALDH1A1RAB9AGPR119KDM4EPKM
SCHEMBL1412244 0.84 ALDH1A1 (0.66) ALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL5198496 0.84 ALDH1A1 (0.57) ALDH1A1RAB9AEPHX1CA12CA1
SCHEMBL21088783 0.83 EPHX1 (0.51) ALDH1A1RAB9AEPHX1GPR119KDM4E
SCHEMBL1412165 0.83 HSD11B1 (0.58) GAAUSP30KDM5A
SCHEMBL1412162 0.83 HSD11B1 (0.58) GAAUSP30KDM5A
SCHEMBL6038412 0.83 ALDH1A1 (0.68) ALDH1A1RAB9AEPHX1GAAMEN1
SCHEMBL20064368 0.82 ALDH1A1 (0.54) ALDH1A1RAB9AEPHX1GPR119CA12
SCHEMBL13199301 0.82 KDM4E (0.68) EPHX1GPR119KDM4EPKMUSP30
SCHEMBL6148210 0.82 KDM4E (0.71) ALDH1A1GPR119KDM4EPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022267470-A1 SEH INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE COMPOSITION THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2022-12-29 WO disclosed
WO-2022267470-A1 SEH INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE COMPOSITION THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2022-12-29 WO disclosed
CN-113402447-B sEH inhibitor or pharmaceutically acceptable composition thereof, and preparation method and application thereof 沈阳药科大学 2022-10-18 CN disclosed
CN-108883185-B Application of kappa opioid receptor agonist in preparation of medicine for treating pruritus caused by farnesol X receptor agonist 江苏恒瑞医药股份有限公司 2021-10-08 CN disclosed
CN-113402447-A sEH inhibitor or pharmaceutically acceptable composition thereof, and preparation method and application thereof 沈阳药科大学 2021-09-17 CN disclosed
CN-109422798-B Free alkali crystal form of phenylpropionamide derivative and preparation method thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
CN-107098871-B Phenyl propionamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
US-20200054594-A1 PHARMACEUTICAL COMPOSITION CONTAINING MOR AGONIST AND KOR AGONIST, AND USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 CN disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
CN-1678607-A Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2005-10-05 CN disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 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 (3 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-20200054594-A1 PHARMACEUTICAL COMPOSITION CONTAINING MOR AGONIST AND KOR AGONIST, AND USES THEREOF OPRM1, OPRK1, OPRD1 ALDH1A1 3029/4885RAB9A 2360/4885EPHX1 3452/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ALDH1A1 1501/4885RAB9A 878/4885EPHX1 2595/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ALDH1A1 1501/4885RAB9A 878/4885EPHX1 2595/4885

“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.