SCHEMBL3324625

SCHEMBL3324625

NCC(=O)N(CCO)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.52
▸ ALOX5 P09917 7/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ PTGES O14684 1/20 0.50
▸ NR4A1 P22736 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ NR4A3 Q92570 1/20 0.49
▸ LTB4R Q15722 1/20 0.47
▸ LTB4R2 Q9NPC1 1/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.47
▸ MAOB P27338 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL27528022 0.81 HDAC3 (0.54) LTB4R2CYP2C19HDAC6
SCHEMBL4652875 0.77 CYP1A2 (0.58) LTA4HALOX5PARP10NR4A1NR4A2
SCHEMBL9375612 0.74 NOX1 (0.59) ALOX5PARP10NR4A1NR4A2NR4A3
SCHEMBL5702266 0.73 L3MBTL1 (0.63) ALOX5PARP10PTGESNR4A1NR4A2
SCHEMBL153840 0.72 L3MBTL1 (0.54) ALOX5PTGESNR4A1NR4A2NR4A3
SCHEMBL9297926 0.71 PARP10 (0.54) LTA4HALOX5PARP10NR4A1NR4A2
Hydrochloric Acid SCHEMBL11551802 0.71 PARP10 (0.57) ALOX5PARP10PTGESNR4A1NR4A2
SCHEMBL5843729 0.71 LTA4H (0.63) LTA4HPARP10NR4A1NR4A2NR4A3
SCHEMBL2013554 0.71 PARP10 (0.71) LTA4HPARP10NR4A1NR4A2NR4A3
SCHEMBL17890895 0.71 ALOX5 (0.51) ALOX5PTGESNR4A1NR4A2NR4A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 — — US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 — — US disclosed
EP-2152669-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF Cephalon, Inc. (US) 2010-02-17 — — EP disclosed
EP-1904484-B1 COMPOUNDS GLAXO GROUP LTD (GB) 2009-08-26 — — EP disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 — — WO disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
US-20080207638-A1 Compounds GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (GB) 2008-08-28 — — US disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 — — EP disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 — — 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 (4 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-20080207638-A1 Compounds CMA1, MRGPRX2, HRH2 LTA4H 21/4885ALOX5 108/4885PARP10 3985/4885
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR LTA4H 4357/4885ALOX5 4457/4885PARP10 441/4885
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 LTA4H 204/4885ALOX5 2459/4885PARP10 1418/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR LTA4H 4357/4885ALOX5 4457/4885PARP10 441/4885

“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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