SCHEMBL537916

SCHEMBL537916

[O]n1nnc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.42
▸ MGLL Q99685 3/20 0.42
▸ PDE4B Q07343 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE6D O43924 1/20 0.40
▸ PDE8A O60658 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ PDE8B O95263 1/20 0.40
▸ PDE6A P16499 1/20 0.40
▸ PDE6G P18545 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE6B P35913 1/20 0.40
▸ PDE6C P51160 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE7A Q13946 1/20 0.40

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
SCHEMBL29376241 0.75 POLB (0.50) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL31289323 0.75 SLC9A1 (0.50) FAAHMGLLPDE2ATUBB4ATUBB
SCHEMBL5393 0.75 POLB (0.50) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL19957621 0.75 TUBB4A (0.41) FAAHMGLLPDE4BPDE2APDE6D
SCHEMBL8256698 0.75 SLC9A1 (0.50) FAAHMGLLPDE2ATUBB4ATUBB
SCHEMBL25400045 0.75 FAAH (0.39) FAAHMGLLPDE4BPDE2APDE6D
SCHEMBL16879491 0.75 ALDH1A1 (0.50) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL1226224 0.75 POLB (0.50) FAAHMGLLTUBB4ATUBBTUBA3C
Potassium Ion SCHEMBL29403001 0.75 FAAH (0.39) FAAHMGLLPDE4BPDE2APDE6D
SCHEMBL3605357 0.75 PARP1 (0.39) PDE4BPDE2APDE6DPDE8APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279236-B1 BIODEGRADABLE POLYETHYLENE GLYCOL DERIVATIVE HAVING CYCLIC BENZYLIDENE ACETAL LINKER NOF CORP (JP) 2021-01-06 — — EP claimed
US-9556149-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2017-01-31 — — US claimed
US-20150045372-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2015-02-12 — — US claimed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 — — US claimed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 — — US claimed
US-8735579-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 — — US claimed
EP-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 — — EP claimed
US-20130079518-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES LINZ GUENTER (DE) 2013-03-28 — — US claimed
US-8372974-B2 Regioselective preparation of substituted pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 — — US claimed
US-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — US claimed
US-20110060141-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 — — US claimed
US-20110021538-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2011-01-27 — — US claimed
EP-2268621-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2011-01-05 — — EP claimed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 — — WO claimed
WO-2009115583-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-24 — — WO claimed
US-20240217929-A1 SYNTHESIS OF N,N-DIMETHYLTRYPTAMINE-TYPE COMPOUNDS, METHODS, AND USES CYBIN UK LTD (GB) 2024-07-04 — — US disclosed
CN-111479819-B Method for preparing peptide and method for treating alkali 中外制药株式会社 2024-06-14 — — CN disclosed
US-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-02-19 — — US disclosed
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2003-07-10 — — US disclosed
WO-2003031449-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2003-04-17 — — 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 (9 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-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 FAAH 4825/4885MGLL 2644/4885PDE4B 3590/4885
US-20150045372-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A FAAH 1318/4885MGLL 3829/4885PDE4B 392/4885
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 FAAH 249/4885MGLL 2692/4885PDE4B 667/4885
US-20240217929-A1 SYNTHESIS OF N,N-DIMETHYLTRYPTAMINE-TYPE COMPOUNDS, METHODS, AND USES TPH2, TPH1, HTR2C FAAH 52/4885MGLL 1524/4885PDE4B 1384/4885
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 FAAH 4825/4885MGLL 2644/4885PDE4B 3590/4885
US-20110060141-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP FAAH 4345/4885MGLL 4805/4885PDE4B 1602/4885
US-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 FAAH 249/4885MGLL 2692/4885PDE4B 667/4885
US-20130079518-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP FAAH 4400/4885MGLL 4814/4885PDE4B 1860/4885
US-20110021538-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A FAAH 1318/4885MGLL 3829/4885PDE4B 392/4885

“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.

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