SCHEMBL812583

SCHEMBL812583

O=CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
EPHX1 P07099 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 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
SCHEMBL23367161 0.89
Cyclopentene SCHEMBL9743127 0.85 EPHX2 (0.36) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL12093025 0.81 EPHX2 (0.58) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL28007009 0.81 EPHX2 (0.32) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL12093024 0.81 EPHX2 (0.33) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL4454419 0.80 EPHX2 (0.43) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL14313766 0.78 GRIN2D (0.50) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL25509287 0.77 GRIN2D (0.32) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12943286 0.77 PKM (0.42) EPHX2EPHX1ALDH1A1
SCHEMBL4385378 0.77 TSHR (0.53) EPHX2GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561899-A Adamantane formamide piperazine axial substituted silicon phthalocyanine and preparation method and application thereof 福建师范大学 2024-08-30 CN claimed
CN-117177979-A Cyclic dibenzyl tetrahydroisoquinoline compound and preparation method and application thereof 中国科学院上海药物研究所 2023-12-05 CN claimed
CN-116253740-A Cyclic dibenzyl isoquinoline compound and preparation method and application thereof 中国科学院上海药物研究所 2023-06-13 CN claimed
CN-114375293-A Isoquinoline compounds and preparation method and application thereof 中国科学院上海药物研究所 2022-04-19 CN claimed
CN-109836349-B Adamantane-containing Gemini surfactant and synthesis method thereof 贺州学院 2022-02-15 CN claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
CN-111518095-A Azaindole derivatives, and preparation method and application thereof 华东师范大学 2020-08-11 CN claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
CN-109836349-A A kind of Gemini surface active and its synthetic method containing adamantane 贺州学院 2019-06-04 CN claimed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US claimed
US-5543406-A TREATING ANDROGEN RESPONSIVE OR MEDIATED DISEASE GLAXO WELLCOME, INC. (US) 1996-08-06 US claimed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP claimed
EP-0705834-A1 Quinoxaline-2,3-diones with an azaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP claimed
EP-0675901-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-10-11 EP claimed
EP-0641356-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC. (US) 1995-03-08 EP claimed
WO-1994014842-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1994-07-07 WO claimed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 WO claimed
EP-0034326-B1 CHIRAL POLYSILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE Bayer, Ernst, Prof. Dr. (DE) 1984-07-25 EP claimed
US-4387206-A CHROMATOGRAPHY BAYER ERNST (DE) 1983-06-07 US claimed
US-4218457-A ANTICANCER ACTIVITY AND IMMUNOSTIMULATING ACTIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-08-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E EPHX2 4448/4885EPHX1 4832/4885GRIN2D 569/4885

“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.