SCHEMBL1463586

SCHEMBL1463586

COC1CCN(C=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.32
HSD11B1 P28845 1/20 0.31
AOC3 Q16853 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
Hydrochloric Acid SCHEMBL28425244 0.98 PDE4B (0.33) PDE4BPDE4DHSD11B1AOC3
SCHEMBL17222755 0.86
SCHEMBL17222782 0.86
SCHEMBL12522208 0.86
SCHEMBL20456254 0.79 RECQL (0.32)
SCHEMBL18000834 0.78
SCHEMBL7618957 0.76
SCHEMBL12801145 0.76
SCHEMBL12448258 0.76 CHRM2 (0.33) KCNQ3KCNQ2
SCHEMBL3496965 0.76 CHRM4 (0.31) PDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN claimed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP claimed
EP-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO claimed
CN-115108931-B Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2024-06-14 CN disclosed
CN-117295741-A AXL compounds 艾库斯生物科学有限公司 2023-12-26 CN disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
CN-110256440-B Phthalazine isoxazole alkoxy derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-05-23 CN disclosed
CN-111434662-B Haloallylamine compound and application thereof 药捷安康(南京)科技股份有限公司 2023-01-10 CN disclosed
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN disclosed
CN-109689652-B Fused heterocyclic derivative, preparation method and medical application thereof 北京诺诚健华医药科技有限公司 2022-04-26 CN disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C PDE4B 2219/4885PDE4D 1829/4885HSD11B1 264/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C PDE4B 2215/4885PDE4D 3624/4885HSD11B1 247/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 PDE4B 1967/4885PDE4D 3335/4885HSD11B1 466/4885

“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.