SCHEMBL6753087

SCHEMBL6753087

O=C(CCN1C(=O)C=CC1=O)NCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.45
▸ PTGS2 P35354 7/20 0.45
▸ MGLL Q99685 4/20 0.44
▸ FAAH O00519 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42

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
SCHEMBL15216717 0.94 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13077804 0.92 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14984835 0.91 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12848812 0.90 ALDH1A1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18995821 0.90 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17462703 0.88 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13531990 0.86 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18081561 0.86 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL253991 0.85 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHTP53
SCHEMBL15607622 0.85 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288351-B2 Antagonists of the bradykinin B1 receptor AMGEN INC. (US) 2012-10-16 — — US disclosed
US-20120121591-A1 SELECTIVE AND POTENT PEPTIDE INHIBITORS OF Kv1.3 AMGEN INC. (US) 2012-05-17 — — US disclosed
US-7605120-B2 peptides and/or conjugated peptides may be used as therapeutics or prophylactics for the treatment of diseases mediated by B1 activation, including inflammation and chronic pain states of inflammatory and neuropathic origin, septic shock, arthritis, osteoarthritis, angina, asthma, allergic rhinitis AMGEN INC. (US) 2009-10-20 — — US disclosed
US-20090137483-A1 Antagonists of the bradykinin B1 receptor AMGEN INC. 2009-05-28 — — US disclosed
US-20090048149-A1 Antagonists of the bradykinin B1 receptor AMGEN INC. 2009-02-19 — — 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 (3 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-20090048149-A1 Antagonists of the bradykinin B1 receptor BDKRB1, BDKRB2, LTB4R PTGS1 220/4885PTGS2 654/4885MGLL 2155/4885
US-20090137483-A1 Antagonists of the bradykinin B1 receptor BDKRB1, BDKRB2, AVPR1B PTGS1 296/4885PTGS2 664/4885MGLL 3049/4885
US-20120121591-A1 SELECTIVE AND POTENT PEPTIDE INHIBITORS OF Kv1.3 KCNJ4, KCNK4, KCNQ4 PTGS1 3442/4885PTGS2 3715/4885MGLL 3636/4885

“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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