SCHEMBL6026424

SCHEMBL6026424

CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ GNPAT O15228 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34

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
SCHEMBL61371 1.00 ALOX15 (0.42) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL61370 1.00 ALOX15 (0.42) ALOX15KDM4EMAPTTHRBNFKB1
Water SCHEMBL6933673 0.98 ALOX15 (0.41) ALOX15KDM4EMAPTTHRBNFKB1
Water SCHEMBL8680771 0.98 ALOX15 (0.41) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL7162439 0.98 ALOX15 (0.41) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL7162435 0.98 ALOX15 (0.41) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL27782979 0.94 CTSS (0.39) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL27782981 0.94 CTSS (0.39) ALOX15KDM4EMAPTTHRBNFKB1
D-Alanine SCHEMBL7432397 0.93 ALDH1A1 (0.40) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL11133973 0.92 TNF (0.37) ALOX15KDM4EMAPTTHRBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689703-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES Pfizer Products Inc. (US) 2006-08-16 — — EP claimed
US-7026345-B2 Resolution of 3-amino alkylnitriles PFIZER INC. (US) 2006-04-11 — — US claimed
US-20050107453-A1 Resolution of 3-amino alkylnitriles PFIZER INC. 2005-05-19 — — US claimed
WO-2005040097-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES PFIZER PRODUCTS INC. (US) 2005-05-06 — — WO claimed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
CN-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN disclosed
CN-114569716-A Reducing the viscosity of pharmaceutical formulations 美国安进公司 2022-06-03 — — CN disclosed
EP-1689703-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES Pfizer Products Inc. (US) 2006-08-16 — — EP disclosed
US-7026345-B2 Resolution of 3-amino alkylnitriles PFIZER INC. (US) 2006-04-11 — — US disclosed
US-20050107453-A1 Resolution of 3-amino alkylnitriles PFIZER INC. 2005-05-19 — — US disclosed
WO-2005040097-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES PFIZER PRODUCTS INC. (US) 2005-05-06 — — 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 (1 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-20050107453-A1 Resolution of 3-amino alkylnitriles AADAT, AANAT, AAAS ALOX15 1518/4885KDM4E 4055/4885MAPT 2731/4885

“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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