SCHEMBL1474403

SCHEMBL1474403

O=C(O)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
SLC18A3 Q16572 1/20 0.59
P2RY14 Q15391 8/20 0.52
HTR2C P28335 2/20 0.50
QDPR P09417 1/20 0.50
HTR1A P08908 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47
AGTR1 P30556 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TMEM97 Q5BJF2 2/20 0.47
PDE2A O00408 1/20 0.47
PDE5A O76074 1/20 0.47
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
Hydrochloric Acid SCHEMBL4774320 0.98 SIGMAR1 (0.57) SIGMAR1SLC18A3P2RY14HTR2CQDPR
SCHEMBL31386222 0.89 JAK3 (0.59) JAK3
SCHEMBL2321634 0.86 TSHR (0.57) DRD1TP53TSHR
SCHEMBL901207 0.86 TSHR (0.57) DRD1TP53TSHR
SCHEMBL901209 0.86 TSHR (0.57) DRD1TP53TSHR
SCHEMBL18553793 0.84 SLC18A3 (0.63) SIGMAR1SLC18A3P2RY14HTR2CQDPR
Hydrochloric Acid SCHEMBL4290507 0.84 TSHR (0.55) DRD1TP53TSHR
SCHEMBL1285399 0.83 QDPR (0.50) SIGMAR1SLC18A3P2RY14HTR2CQDPR
SCHEMBL7263062 0.83 SLC18A3 (0.52) SIGMAR1SLC18A3P2RY14HTR2CQDPR
SCHEMBL1758181 0.83 CYP2C9 (0.55) SIGMAR1SLC18A3HTR2CQDPRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116497411-A Cyanide-free alkaline silver plating electroplating solution and preparation and application thereof 上海电力大学 2023-07-28 CN claimed
CN-112225895-A Flame-retardant aromatic polyoxadiazole polymer and preparation method thereof 欧阳杰 2021-01-15 CN claimed
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity SRX CARDIO, LLC (US) 2018-07-31 US claimed
US-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2017-08-31 US claimed
EP-3182971-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX Cardio, LLC (US) 2017-06-28 EP claimed
WO-2016029037-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2016-02-25 WO claimed
US-20240122951-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATING ACTIVITY OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN WITH SMALL MOLECULE LIGANDS SRX CARDIO, LLC 2024-04-18 US disclosed
US-11771710-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands SRX CARDIO, LLC (US) 2023-10-03 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
CN-116497411-A Cyanide-free alkaline silver plating electroplating solution and preparation and application thereof 上海电力大学 2023-07-28 CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
US-20210275551-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN ACTIVITY WITH SMALL MOLECULE LIGANDS SRX CARDIO, LLC 2021-09-09 US disclosed
EP-1254124-A1 DIPEPTIDE NITRILE CATHPSIN K INHIBITORS Novartis AG (CH) 2002-11-06 EP disclosed
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 CN disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US disclosed
WO-2001058886-A1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2001-08-16 WO disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
CN-1097753-A 5-membered heterocycles, preparation method and the pharmaceutical composition that contains these compounds THOMAE GMBH DR K (DE) 1995-01-25 CN 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 (8 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-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY PCSK9, LDLR, PCSK7 SIGMAR1 3522/4885SLC18A3 4361/4885P2RY14 3166/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SIGMAR1 1047/4885SLC18A3 2226/4885P2RY14 602/4885
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity PCSK9, LDLR, PCSK7 SIGMAR1 3522/4885SLC18A3 4361/4885P2RY14 3166/4885
US-20210275551-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN ACTIVITY WITH SMALL MOLECULE LIGANDS PCSK9, LDLR, PCSK7 SIGMAR1 3335/4885SLC18A3 4483/4885P2RY14 3440/4885
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 SIGMAR1 3625/4885SLC18A3 4351/4885P2RY14 1055/4885
US-20240122951-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATING ACTIVITY OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN WITH SMALL MOLECULE LIGANDS PCSK9, LDLR, PCSK7 SIGMAR1 3366/4885SLC18A3 4472/4885P2RY14 3344/4885
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS SIGMAR1 2452/4885SLC18A3 4536/4885P2RY14 3135/4885
US-11771710-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands PCSK9, LDLR, PCSK7 SIGMAR1 3312/4885SLC18A3 4480/4885P2RY14 3433/4885

“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.