SCHEMBL2054538

SCHEMBL2054538

Cc1cnn2c1OCCC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.42
NLRP3 Q96P20 1/20 0.39
PDE4B Q07343 10/20 0.34
PDE4A P27815 9/20 0.34
PDE4C Q08493 9/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PDE4D Q08499 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LDHA P00338 1/20 0.33
MAPK14 Q16539 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAP4K1 Q92918 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL20939390 0.94 MPO (0.38) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL19431919 0.77 MPO (0.42) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL20939452 0.77 MPO (0.42) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL18338520 0.77 MPO (0.42) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL21863537 0.77 HDAC1 (0.39) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL21672110 0.77 MPO (0.39) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL18418855 0.77 MPO (0.39) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL29325037 0.77 MPO (0.39) MPONLRP3PDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL26120934 0.76 MPO (0.41) MPONLRP3PDE4BPDE4APDE4C
SCHEMBL1208389 0.74 LMNA (0.45) PDE4BIRAK4LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
WO-2024059249-A1 M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-03-21 WO disclosed
EP-3571187-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH INC (US) 2023-11-22 EP disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 WO disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
WO-2023101981-A1 SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
WO-2023102022-A1 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 US disclosed
EP-3313838-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2019-04-03 EP disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 US disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 WO 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 (7 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MPO 2021/4885NLRP3 514/4885PDE4B 1320/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH MPO 556/4885NLRP3 3702/4885PDE4B 1120/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MPO 2021/4885NLRP3 514/4885PDE4B 1320/4885
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, PRKAR2B, MAP3K13 MPO 4789/4885NLRP3 4569/4885PDE4B 689/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MPO 1935/4885NLRP3 255/4885PDE4B 3165/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 MPO 556/4885NLRP3 8/4885PDE4B 2796/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP MPO 538/4885NLRP3 2592/4885PDE4B 714/4885

“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.