SCHEMBL1199503

SCHEMBL1199503

[CH2]CCC1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
ACHE P22303 7/20 0.46
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2R P25116 1/20 0.34
HTR4 Q13639 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL9996647 0.88
SCHEMBL8989032 0.86 NCF1 (0.48) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL24319800 0.84 NCF1 (0.62) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL14661381 0.82 NCF1 (0.45) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL1098836 0.80 NCF1 (0.52) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL15721230 0.80 NCF1 (0.58) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL245769 0.79 NCF1 (0.56) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL772570 0.79
SCHEMBL11164665 0.79 NCF1 (0.56) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL3948738 0.78 GNAO1 (0.45) GNAO1HRH3HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362932-A Isothiazole oxadiazole amide derivatives and preparation method and application thereof 南开大学 2020-07-03 CN claimed
WO-2011033094-A1 SCHEDULE OF ADMINISTRATION OF BENZAZOLE DERIVATIVES IN THE TREATMENT OF LEUKEMIAS 4SC AG (DE) 2011-03-24 WO claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
US-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors ALTANA PHARMA AG (DE) 2008-10-02 US claimed
CN-100354263-C Process for the preparation of 7-substituted-3-quinoline and 3-quinol-4-one carbonitriles WYETH CORP (US) 2007-12-12 CN claimed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP claimed
EP-1709007-A1 N-4-(6-(HETEO)ARYL-PYRIMIDIN-4-YLAMINOPHENYL)-BENZENESULFONAMIDES AS KINASE INHIBITORS Altana Pharma AG (DE) 2006-10-11 EP claimed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US claimed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO claimed
CN-1665787-A Process for preparing 7-substituted-3-quinolines and 3-quinol-4-one carbonitriles WYETH CORP (US) 2005-09-07 CN claimed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed
WO-2005070900-A1 N-4-(6- (HETEO) ARYL-PYRIMIDIN-4-YLAMINOPHENYL) -BEZENESULFONAMIDES AS KINASE INHIBITORS ALTANA PHARMA AG (DE) 2005-08-04 WO claimed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP claimed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US claimed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US claimed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 WO claimed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
EP-0420806-A1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA-GEIGY AG (CH) 1991-04-03 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 (5 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-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 NCF1 1428/4885ACHE 4212/4885GNAI3 1014/4885
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 NCF1 1471/4885ACHE 3349/4885GNAI3 502/4885
US-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors MAP3K19, MAP3K6, MAP3K20 NCF1 1323/4885ACHE 3857/4885GNAI3 807/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB NCF1 1793/4885ACHE 1560/4885GNAI3 410/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NCF1 2240/4885ACHE 2453/4885GNAI3 1284/4885

“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.