SCHEMBL41969

SCHEMBL41969

c1ccc(CCN2CCNCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.79
SLC6A3 Q01959 1/20 0.68
SLC6A4 P31645 1/20 0.65
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
KCNJ1 P48048 1/20 0.58
KCNH2 Q12809 1/20 0.58
ACHE P22303 1/20 0.58
CCR3 P51677 1/20 0.56
LTA4H P09960 1/20 0.55

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
SCHEMBL3963041 1.00 SIGMAR1 (0.79) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL2195558 0.98 SIGMAR1 (0.77) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
SCHEMBL29393817 0.98 SIGMAR1 (0.77) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL16739273 0.98 SIGMAR1 (0.77) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
SCHEMBL8668531 0.93 SLC6A3 (0.70) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
Alcohol SCHEMBL27791355 0.91 SIGMAR1 (0.68) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL7983455 0.91 SLC6A3 (0.68) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
Acetic Acid SCHEMBL27373593 0.90 SIGMAR1 (0.66) SIGMAR1SLC6A3SLC6A4HTR1ADRD2
SCHEMBL10677264 0.89 SIGMAR1 (1.00) SIGMAR1CCR3LTA4H
SCHEMBL457139 0.89 SIGMAR1 (1.00) SIGMAR1CCR3LTA4H

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 1029 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US claimed
CN-114736236-B Polynuclear annular organotin oxygen sulfur cluster compound and preparation method and application thereof 中国科学院福建物质结构研究所 2023-09-29 CN claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US claimed
CN-114736236-A Polynuclear cyclic organotin-oxygen-sulfur cluster compound and preparation method and application thereof 中国科学院福建物质结构研究所 2022-07-12 CN claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
US-8445484-B2 Bicyclic peptidomimetic inhibitors of aspartyl-proteases for the treatment of infectious diseases ISTITUTO SUPERIORE DI SANITA' (IT) 2013-05-21 US claimed
EP-2118110-B1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-25 EP claimed
CN-1088923-A Piperazinyl or piperamylcyclohexanol, preparation and use thereof BRISTOL MYERS SQUIBB CO (US) 1994-07-06 CN claimed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
EP-0427765-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-05-22 EP claimed
EP-0385043-A1 New derivatives of 4-substituted piperazines FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1990-09-05 EP claimed
WO-1990001477-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS Gödecke Aktiengesellschaft (DE) 1990-02-22 WO claimed
EP-0354495-A1 Alkoxy-4(1H)-pyridone derivatives, process for their preparation and their pharmaceutical use GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-02-14 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
EP-0232089-A2 Quinone amides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ SIGMAR1 2433/4885SLC6A3 3280/4885SLC6A4 3594/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ SIGMAR1 2433/4885SLC6A3 3280/4885SLC6A4 3594/4885

“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.