SCHEMBL3597522

SCHEMBL3597522

C(=NC1CCCNC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.44
BACE1 P56817 8/20 0.44
KMT2A Q03164 2/20 0.44
BCHE P06276 5/20 0.42
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL23700119 1.00 ACHE (0.44) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL23700118 1.00 ACHE (0.44) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL3597520 1.00 ACHE (0.44) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL2144440 0.95 KMT2A (0.46) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL2144437 0.95 KMT2A (0.46) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL19713578 0.95 KMT2A (0.46) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL19713577 0.95 KMT2A (0.46) ACHEBACE1KMT2ABCHEPOLB
SCHEMBL3598418 0.90 ACHE (0.46) ACHEBACE1KMT2ABCHELMNA
SCHEMBL3598416 0.90 ACHE (0.46) ACHEBACE1KMT2ABCHELMNA
SCHEMBL29576208 0.84 KMT2A (0.45) ACHEBACE1KMT2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950840-B Preparation method of trelagliptin succinate 江苏天和制药有限公司 2022-03-15 CN claimed
CN-110950840-A Preparation method of trelagliptin succinate 江苏天和制药有限公司 2020-04-03 CN claimed
US-11401269-B2 Intermediates and processes for the preparation of Linagliptin and its salts CAMBREX PROFARMACO MILANO S.R.L. (IT) 2022-08-02 US disclosed
EP-3794001-B1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF LINAGLIPTIN AND ITS SALTS CAMBREX PROFARMACO MILANO S R L (IT) 2022-04-20 EP disclosed
CN-110950840-B Preparation method of trelagliptin succinate 江苏天和制药有限公司 2022-03-15 CN disclosed
CN-110950840-B Preparation method of trelagliptin succinate 江苏天和制药有限公司 2022-03-15 CN disclosed
US-20210238178-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF LINAGLIPTIN AND ITS SALTS CAMBREX PROFARMACO MILANO S.R.L. (IT) 2021-08-05 US disclosed
EP-3794001-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF LINAGLIPTIN AND ITS SALTS Cambrex Profarmaco Milano S.r.l. (IT) 2021-03-24 EP disclosed
CN-110950840-A Preparation method of trelagliptin succinate 江苏天和制药有限公司 2020-04-03 CN disclosed
US-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 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 (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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA ACHE 621/4885BACE1 1164/4885KMT2A 1204/4885
US-11401269-B2 Intermediates and processes for the preparation of Linagliptin and its salts DPP4, DPP8, DPP9 ACHE 1579/4885BACE1 970/4885KMT2A 3121/4885
US-20210238178-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF LINAGLIPTIN AND ITS SALTS DPP4, DPP8, DPP9 ACHE 1579/4885BACE1 970/4885KMT2A 3121/4885

“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.