SCHEMBL992089

SCHEMBL992089

NC(=O)CNC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.46
KDM4E B2RXH2 2/20 0.45
DPP4 P27487 8/20 0.45
FAP Q12884 4/20 0.45
EPHX1 P07099 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX2 P34913 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 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
SCHEMBL17347050 1.00 DPP7 (0.46) DPP7KDM4EDPP4FAPEPHX1
SCHEMBL991936 0.98 DPP4 (0.43) DPP7KDM4EDPP4FAPEPHX1
Hydrochloric Acid SCHEMBL3512222 0.95 ALDH1A1 (0.44) DPP7KDM4EDPP4FAPEPHX1
SCHEMBL11922743 0.93
SCHEMBL1908528 0.88
Hydrochloric Acid SCHEMBL2715582 0.86
SCHEMBL3769999 0.80 KDM1A (0.40) DPP7DPP4FAPALDH1A1HPGD
SCHEMBL750354 0.80 METAP1 (0.40) DPP7DPP4
SCHEMBL994220 0.80 EPHX2 (0.46) DPP7DPP4FAPCYP3A4EPHX2
SCHEMBL6127326 0.80 EPHX2 (0.46) DPP7DPP4FAPCYP3A4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 CN claimed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US claimed
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US claimed
CN-114805352-B Pyrrolopyridine substituted fused quinoline compounds as PI3K/MTOR inhibitors 南京爱德程医药科技有限公司 2023-09-15 CN disclosed
CN-114790207-B Substituted pyridinyl substituted fused quinoline compounds as PI3K/MTOR inhibitors 南京爱德程医药科技有限公司 2023-07-25 CN disclosed
CN-114805351-B Amido-bearing pyridyl-substituted fused quinoline compounds as PI3K/MTOR inhibitors 南京爱德程医药科技有限公司 2023-05-09 CN disclosed
CN-109121414-A Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2019-01-01 CN disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed
US-4690925-A ANTITHROMBOTIC ACTIVITY, CARDIOTONIC AGENTS SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
EP-0153152-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-/2,1-b/quinnazolinyl)-oxyalkylamides, their preparation, compositions containing them and their use in making medicaments SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
EP-0061623-A1 Process for dyeing or printing paper, and cationic phthalocyanine dyes BASF Aktiengesellschaft (DE) 1982-10-06 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB DPP7 3143/4885KDM4E 1491/4885DPP4 4097/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A DPP7 1443/4885KDM4E 3541/4885DPP4 1871/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C DPP7 1641/4885KDM4E 2659/4885DPP4 1480/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 DPP7 1689/4885KDM4E 756/4885DPP4 1936/4885

“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.