SCHEMBL676391

SCHEMBL676391

[C]1=CCCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
G6PC1 P35575 1/20 0.31
MAPT P10636 1/20 0.31
HTR2C P28335 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
SCHEMBL9620894 0.94 TSHR (0.48) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL38097 0.86 TSHR (0.36) TSHRHTR2C
SCHEMBL29246 0.72
SCHEMBL3884 0.68 TSHR (0.48) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL286696 0.68 TSHR (0.48) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL9621216 0.67 TSHR (0.31) TSHR
SCHEMBL62945 0.67 TSHR (0.52) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL9421049 0.67 TSHR (0.52) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL327799 0.66 TSHR (0.43) TSHRCYP2A6MAOAMAOBHTR2C
SCHEMBL8912020 0.66 TSHR (0.43) TSHRCYP2A6MAOAMAOBHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581476-B1 AMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-16 EP claimed
US-20060079506-A1 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICAL N.V. (BE) 2006-04-13 US claimed
EP-1581476-A2 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-05 EP claimed
WO-2004056745-A2 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO claimed
EP-4400501-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2024-07-17 EP disclosed
CN-118354995-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-16 CN disclosed
CN-118355014-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-16 CN disclosed
CN-118355010-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-16 CN disclosed
CN-118339142-A Novel compound and organic light emitting device using the same 株式会社LG化学 2024-07-12 CN disclosed
CN-117999260-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-05-07 CN disclosed
CN-117440949-A Novel compound and organic light emitting device using the same 株式会社LG化学 2024-01-23 CN disclosed
EP-1581476-B1 AMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-16 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO disclosed
WO-2004056745-A2 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 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 (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-20060079506-A1 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors DHCR7, HSD3B2, HSD3B1 TSHR 905/4885HPGD 54/4885L3MBTL1 2850/4885

“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.