SCHEMBL2486004

SCHEMBL2486004

c1cc2c(cn1)OCCC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
ACHE P22303 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
RIPK1 Q13546 1/20 0.38
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NOTUM Q6P988 1/20 0.35
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
QPCT Q16769 1/20 0.32

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
SCHEMBL8276437 0.88
SCHEMBL1796801 0.84 SIGMAR1 (0.52) SIGMAR1ACHECHRNB2CHRNA4RIPK1
SCHEMBL19075926 0.78 SIGMAR1 (0.55) SIGMAR1ACHECHRNB2CHRNA4RIPK1
SCHEMBL19075927 0.77 CYP11B1 (0.42) SIGMAR1ACHERIPK1CTNNB1WNT3A
SCHEMBL18020472 0.74 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL9923673 0.72 CLK1 (0.36) RIPK1CTNNB1WNT3ANOTUMCLK1
Pyrimidine SCHEMBL4828523 0.72 ITGB2 (0.40) RIPK1CTNNB1WNT3ANOTUMCLK1
SCHEMBL2109955 0.72 CHRNB2 (0.43) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL31001734 0.72 CYP11B1 (0.48) RIPK1CTNNB1WNT3ACYP11B1CYP11B2
SCHEMBL2478207 0.72 CYP11B1 (0.48) RIPK1CTNNB1WNT3ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 US disclosed
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 US disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 US disclosed
US-20230008362-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-01-12 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2020-06-09 US disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US disclosed
EP-2376497-A1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-10-19 EP disclosed
WO-2010067332-A1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-17 WO disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 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 (11 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SIGMAR1 844/4885ACHE 33/4885CHRNB2 346/4885
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 SIGMAR1 2584/4885ACHE 14/4885CHRNB2 851/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SIGMAR1 844/4885ACHE 33/4885CHRNB2 346/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 SIGMAR1 4275/4885ACHE 4752/4885CHRNB2 4747/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP SIGMAR1 2691/4885ACHE 18/4885CHRNB2 349/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 SIGMAR1 2413/4885ACHE 21/4885CHRNB2 829/4885
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 SIGMAR1 453/4885ACHE 3014/4885CHRNB2 614/4885
US-20230210854-A1 MONO- AND COMBINATION THERAPIES TP53, BRCA1, MCL1 SIGMAR1 3613/4885ACHE 4731/4885CHRNB2 4193/4885
US-20230008362-A1 COMBINATIONS WEE2, WEE1, BCL2 SIGMAR1 4321/4885ACHE 4699/4885CHRNB2 4681/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP SIGMAR1 844/4885ACHE 33/4885CHRNB2 346/4885
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 SIGMAR1 1475/4885ACHE 15/4885CHRNB2 906/4885

“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.